4-methyl-N-[2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[2-[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]ethyl]-4-methyl-3-nitro-benzamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)CNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C22H28N4O4S/c1-15-7-9-25(10-8-15)19(20-4-3-11-31-20)13-23-21(27)14-24-22(28)17-6-5-16(2)18(12-17)26(29)30/h3-6,11-12,15,19H,7-10,13-14H2,1-2H3,(H,23,27)(H,24,28)/p+1/t19-/m1/s1