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

Systemtic Name: [(3S,4S)-4-(3-chloranyl-4-methoxy-phenyl)-1-methyl-pyrrolidin-1-ium-3-yl]-(4-cyclohexylphenyl)methanone Openeye Name: [(3S,4S)-4-(3-chloro-4-methoxy-phenyl)-1-methyl-pyrrolidin-1-ium-3-yl]-(4-cyclohexylphenyl)methanone CAS Name: [(3S,4S)-4-(3-chloro-4-methoxyphenyl)-1-methyl-3-pyrrolidin-1-iumyl]-(4-cyclohexylphenyl)methanone IUPAC Name: [(3S,4S)-4-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidin-1-ium-3-yl]-(4-cyclohexylphenyl)methanone Traditional Name: [(3S,4S)-4-(3-chloro-4-methoxy-phenyl)-1-methyl-pyrrolidin-1-ium-3-yl]-(4-cyclohexylphenyl)methanone Formula: C25H31ClNO2+ MolecularWeight: 412.97214

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(C(C1)C(=O)C2=CC=C(C=C2)C3CCCCC3)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

C[NH+]1C[C@@H]([C@@H](C1)C(=O)C2=CC=C(C=C2)C3CCCCC3)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C25H30ClNO2/c1-27-15-21(20-12-13-24(29-2)23(26)14-20)22(16-27)25(28)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-14,17,21-22H,3-7,15-16H2,1-2H3/p+1/t21-,22-/m1/s1