N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-1-ium-2-amine CAS Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumamine IUPAC Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine Traditional Name: [(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amine Formula: C22H33N5O3S+2 MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CCN1C[C@H](OC2=CC=CC=C21)CN(C)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H31N5O3S/c1-4-26-17-18(30-21-8-6-5-7-20(21)26)16-25(3)22-10-9-19(15-23-22)31(28,29)27-13-11-24(2)12-14-27/h5-10,15,18H,4,11-14,16-17H2,1-3H3/p+2/t18-/m1/s1