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

Systemtic Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-3-thiophen-3-yl-propanamide Openeye Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]-3-(3-thienyl)propanamide CAS Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]-3-(3-thiophenyl)propanamide IUPAC Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-3-thiophen-3-ylpropanamide Traditional Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]-3-(3-thienyl)propionamide Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)CNC(=O)CCC3=CSC=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)CNC(=O)CCC3=CSC=C3

InChI

InChI=1S/C19H26N4OS/c1-22-9-3-10-23(12-11-22)19-17(4-2-8-20-19)14-21-18(24)6-5-16-7-13-25-15-16/h2,4,7-8,13,15H,3,5-6,9-12,14H2,1H3,(H,21,24)/p+1