N-(2,2-diphenylethyl)-6-methoxy-1-oxidanidyl-N-[[(2S)-pyrrolidin-2-yl]-sulfanyl-methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,2-diphenylethyl)-6-methoxy-1-oxidanidyl-N-[[(2S)-pyrrolidin-2-yl]-sulfanyl-methyl]pyridin-1-ium-3-carboxamide Openeye Name: N-(2,2-diphenylethyl)-6-methoxy-1-oxido-N-[[(2S)-pyrrolidin-2-yl]-sulfanyl-methyl]pyridin-1-ium-3-carboxamide CAS Name: N-(2,2-diphenylethyl)-N-[mercapto-[(2S)-2-pyrrolidinyl]methyl]-6-methoxy-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,2-diphenylethyl)-6-methoxy-1-oxido-N-[[(2S)-pyrrolidin-2-yl]-sulfanylmethyl]pyridin-1-ium-3-carboxamide Traditional Name: N-(2,2-diphenylethyl)-N-[mercapto-[(2S)-pyrrolidin-2-yl]methyl]-6-methoxy-1-oxido-pyridin-1-ium-3-carboxamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=[N+](C=C(C=C1)C(=O)N(CC(C2=CC=CC=C2)C3=CC=CC=C3)C(C4CCCN4)S)[O-]

Isomeric SMILES

COC1=[N+](C=C(C=C1)C(=O)N(CC(C2=CC=CC=C2)C3=CC=CC=C3)C([C@@H]4CCCN4)S)[O-]

InChI

InChI=1S/C26H29N3O3S/c1-32-24-15-14-21(17-29(24)31)25(30)28(26(33)23-13-8-16-27-23)18-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,14-15,17,22-23,26-27,33H,8,13,16,18H2,1H3/t23-,26?/m0/s1