N-(2,2-diphenylethyl)-6-methoxy-1-oxidanidyl-N-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,2-diphenylethyl)-6-methoxy-1-oxidanidyl-N-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methyl]pyridin-1-ium-3-carboxamide Openeye Name: N-(2,2-diphenylethyl)-6-methoxy-1-oxido-N-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methyl]pyridin-1-ium-3-carboxamide CAS Name: N-(2,2-diphenylethyl)-N-[[(2S,4S)-4-mercapto-2-pyrrolidinyl]methyl]-6-methoxy-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,2-diphenylethyl)-6-methoxy-1-oxido-N-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methyl]pyridin-1-ium-3-carboxamide Traditional Name: N-(2,2-diphenylethyl)-N-[[(2S,4S)-4-mercaptopyrrolidin-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(CC2CC(CN2)S)CC(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

COC1=[N+](C=C(C=C1)C(=O)N(C[C@@H]2C[C@@H](CN2)S)CC(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C26H29N3O3S/c1-32-25-13-12-21(16-29(25)31)26(30)28(17-22-14-23(33)15-27-22)18-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,16,22-24,27,33H,14-15,17-18H2,1H3/t22-,23-/m0/s1