[(3S,4S)-1-methyl-4-(4-methylphenyl)carbonyl-pyrrolidin-1-ium-3-yl]-(4-methylphenyl)methanone

Systemtic Name: [(3S,4S)-1-methyl-4-(4-methylphenyl)carbonyl-pyrrolidin-1-ium-3-yl]-(4-methylphenyl)methanone Openeye Name: [(3S,4S)-1-methyl-4-(4-methylbenzoyl)pyrrolidin-1-ium-3-yl]-(p-tolyl)methanone CAS Name: [(3S,4S)-1-methyl-4-[(4-methylphenyl)-oxomethyl]-3-pyrrolidin-1-iumyl]-(4-methylphenyl)methanone IUPAC Name: [(3S,4S)-1-methyl-4-(4-methylbenzoyl)pyrrolidin-1-ium-3-yl]-(4-methylphenyl)methanone Traditional Name: [(3S,4S)-1-methyl-4-p-toluoyl-pyrrolidin-1-ium-3-yl]-(p-tolyl)methanone Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C[NH+](CC2C(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2/c1-14-4-8-16(9-5-14)20(23)18-12-22(3)13-19(18)21(24)17-10-6-15(2)7-11-17/h4-11,18-19H,12-13H2,1-3H3/p+1/t18-,19-/m1/s1