methyl (2R,3S,4S,5S)-4-(4-methylphenyl)carbonyl-3,5-diphenyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R,3S,4S,5S)-4-(4-methylphenyl)carbonyl-3,5-diphenyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2R,3S,4S,5S)-4-(4-methylbenzoyl)-3,5-diphenyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2R,3S,4S,5S)-4-[(4-methylphenyl)-oxomethyl]-3,5-diphenyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R,3S,4S,5S)-4-(4-methylbenzoyl)-3,5-diphenylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2R,3S,4S,5S)-3,5-diphenyl-4-p-toluoyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C26H26NO3+ MolecularWeight: 400.48954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C([NH2+]C2C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H]2[C@H]([C@@H]([NH2+][C@@H]2C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H25NO3/c1-17-13-15-20(16-14-17)25(28)22-21(18-9-5-3-6-10-18)24(26(29)30-2)27-23(22)19-11-7-4-8-12-19/h3-16,21-24,27H,1-2H3/p+1/t21-,22+,23-,24-/m1/s1