[(3S,4R,5R)-1-methyl-5-(4-methylphenyl)-4-(phenylcarbonyl)pyrrolidin-1-ium-3-yl]-phenyl-methanone

Systemtic Name: [(3S,4R,5R)-1-methyl-5-(4-methylphenyl)-4-(phenylcarbonyl)pyrrolidin-1-ium-3-yl]-phenyl-methanone Openeye Name: [(3S,4R,5R)-4-benzoyl-1-methyl-5-(p-tolyl)pyrrolidin-1-ium-3-yl]-phenyl-methanone CAS Name: [(3S,4R,5R)-4-benzoyl-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-iumyl]-phenylmethanone IUPAC Name: [(3S,4R,5R)-4-benzoyl-1-methyl-5-(4-methylphenyl)pyrrolidin-1-ium-3-yl]-phenylmethanone Traditional Name: [(3S,4R,5R)-4-benzoyl-1-methyl-5-(p-tolyl)pyrrolidin-1-ium-3-yl]-phenyl-methanone Formula: C26H26NO2+ MolecularWeight: 384.49014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C[NH+]2C)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO2/c1-18-13-15-19(16-14-18)24-23(26(29)21-11-7-4-8-12-21)22(17-27(24)2)25(28)20-9-5-3-6-10-20/h3-16,22-24H,17H2,1-2H3/p+1/t22-,23-,24+/m1/s1