N-(2-methylsulfanylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2-methylsulfanylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[2-(methylthio)phenyl]-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-methylsulfanylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[2-(methylthio)phenyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C19H26N4OS+2 MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H24N4OS/c1-25-17-7-3-2-6-16(17)21-19(24)9-11-22-12-14-23(15-13-22)18-8-4-5-10-20-18/h2-8,10H,9,11-15H2,1H3,(H,21,24)/p+2