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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=[N+](C=C(C=C1)C(=O)N(CCC2=CC=CC3=CC=CC=C32)CC4C(CCN4)S)[O-]

Isomeric SMILES

COC1=[N+](C=C(C=C1)C(=O)N(CCC2=CC=CC3=CC=CC=C32)CC4C(CCN4)S)[O-]

InChI

InChI=1S/C24H27N3O3S/c1-30-23-10-9-19(15-27(23)29)24(28)26(16-21-22(31)11-13-25-21)14-12-18-7-4-6-17-5-2-3-8-20(17)18/h2-10,15,21-22,25,31H,11-14,16H2,1H3