N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-3-methylsulfanyl-propanamide Openeye Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]-3-methylsulfanyl-propanamide CAS Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]-3-(methylthio)propanamide IUPAC Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-3-methylsulfanylpropanamide Traditional Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]-3-(methylthio)propionamide Formula: C16H27N4OS+ MolecularWeight: 323.47678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)CNC(=O)CCSC

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)CNC(=O)CCSC

InChI

InChI=1S/C16H26N4OS/c1-19-8-4-9-20(11-10-19)16-14(5-3-7-17-16)13-18-15(21)6-12-22-2/h3,5,7H,4,6,8-13H2,1-2H3,(H,18,21)/p+1