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

Systemtic Name: [(3S,4S)-4-(3-chloranyl-4-methoxy-phenyl)-1-methyl-pyrrolidin-1-ium-3-yl]-(4-methylphenyl)methanone Openeye Name: [(3S,4S)-4-(3-chloro-4-methoxy-phenyl)-1-methyl-pyrrolidin-1-ium-3-yl]-(p-tolyl)methanone CAS Name: [(3S,4S)-4-(3-chloro-4-methoxyphenyl)-1-methyl-3-pyrrolidin-1-iumyl]-(4-methylphenyl)methanone IUPAC Name: [(3S,4S)-4-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidin-1-ium-3-yl]-(4-methylphenyl)methanone Traditional Name: [(3S,4S)-4-(3-chloro-4-methoxy-phenyl)-1-methyl-pyrrolidin-1-ium-3-yl]-(p-tolyl)methanone Formula: C20H23ClNO2+ MolecularWeight: 344.85512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C[NH+](CC2C3=CC(=C(C=C3)OC)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO2/c1-13-4-6-14(7-5-13)20(23)17-12-22(2)11-16(17)15-8-9-19(24-3)18(21)10-15/h4-10,16-17H,11-12H2,1-3H3/p+1/t16-,17-/m1/s1