N-[4-(azepan-1-yl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H23N3O2S/c23-18(15-25-19-7-3-6-14-22(19)24)20-16-8-10-17(11-9-16)21-12-4-1-2-5-13-21/h3,6-11,14H,1-2,4-5,12-13,15H2,(H,20,23)