methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C21H29N5O2+2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H27N5O2/c1-22-21(28)18-8-6-17(7-9-18)15-24(2)16-20(27)26-13-11-25(12-14-26)19-5-3-4-10-23-19/h3-10H,11-16H2,1-2H3,(H,22,28)/p+2