7-[[4-[3-(dimethylamino)propyl]piperidin-1-yl]methylideneamino]-3-[[2-methyl-4,5-bis(oxidanylidene)-1,3,5-triazinan-5-ium-1-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[4-[3-(dimethylamino)propyl]piperidin-1-yl]methylideneamino]-3-[[2-methyl-4,5-bis(oxidanylidene)-1,3,5-triazinan-5-ium-1-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[4-[3-(dimethylamino)propyl]-1-piperidyl]methyleneamino]-3-[(2-methyl-4,5-dioxo-1,3,5-triazinan-5-ium-1-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[4-[3-(dimethylamino)propyl]-1-piperidinyl]methylideneamino]-3-[[(2-methyl-4,5-dioxo-1,3,5-triazinan-5-ium-1-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[4-[3-(dimethylamino)propyl]piperidin-1-yl]methylideneamino]-3-[(2-methyl-4,5-dioxo-1,3,5-triazinan-5-ium-1-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[(4,5-diketo-2-methyl-1,3,5-triazinan-5-ium-1-yl)thio]methyl]-7-[[4-[3-(dimethylamino)propyl]piperidino]methyleneamino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H36N7O5S2+ MolecularWeight: 554.70584

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC(=O)[N+](=O)CN1SCC2=C(N3C(C(C3=O)N=CN4CCC(CC4)CCCN(C)C)SC2)C(=O)O

Isomeric SMILES

CC1NC(=O)[N+](=O)CN1SCC2=C(N3C(C(C3=O)N=CN4CCC(CC4)CCCN(C)C)SC2)C(=O)O

InChI

InChI=1S/C23H35N7O5S2/c1-15-25-23(34)28(35)14-29(15)37-12-17-11-36-21-18(20(31)30(21)19(17)22(32)33)24-13-27-9-6-16(7-10-27)5-4-8-26(2)3/h13,15-16,18,21H,4-12,14H2,1-3H3,(H-,25,32,33,34)/p+1