6-methoxy-N-(1-naphthalen-1-ylethyl)-1-oxidanidyl-N-[(3-sulfanylpyrrolidin-2-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-methoxy-N-(1-naphthalen-1-ylethyl)-1-oxidanidyl-N-[(3-sulfanylpyrrolidin-2-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-methoxy-N-[1-(1-naphthyl)ethyl]-1-oxido-N-[(3-sulfanylpyrrolidin-2-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: N-[(3-mercapto-2-pyrrolidinyl)methyl]-6-methoxy-N-[1-(1-naphthalenyl)ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 6-methoxy-N-(1-naphthalen-1-ylethyl)-1-oxido-N-[(3-sulfanylpyrrolidin-2-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: N-[(3-mercaptopyrrolidin-2-yl)methyl]-6-methoxy-N-[1-(1-naphthyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C24H27N3O3S MolecularWeight: 437.55448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)N(CC3C(CCN3)S)C(=O)C4=C[N+](=C(C=C4)OC)[O-]

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)N(CC3C(CCN3)S)C(=O)C4=C[N+](=C(C=C4)OC)[O-]

InChI

InChI=1S/C24H27N3O3S/c1-16(19-9-5-7-17-6-3-4-8-20(17)19)26(15-21-22(31)12-13-25-21)24(28)18-10-11-23(30-2)27(29)14-18/h3-11,14,16,21-22,25,31H,12-13,15H2,1-2H3