1-[(2S,3R)-3-chloranyl-2-(4-chlorophenyl)-3-(2-methylphenyl)-3-(4-methylphenyl)propyl]pyrrolidin-1-ium

Systemtic Name: 1-[(2S,3R)-3-chloranyl-2-(4-chlorophenyl)-3-(2-methylphenyl)-3-(4-methylphenyl)propyl]pyrrolidin-1-ium Openeye Name: 1-[(2S,3R)-3-chloro-2-(4-chlorophenyl)-3-(o-tolyl)-3-(p-tolyl)propyl]pyrrolidin-1-ium CAS Name: 1-[(2S,3R)-3-chloro-2-(4-chlorophenyl)-3-(2-methylphenyl)-3-(4-methylphenyl)propyl]pyrrolidin-1-ium IUPAC Name: 1-[(2S,3R)-3-chloro-2-(4-chlorophenyl)-3-(2-methylphenyl)-3-(4-methylphenyl)propyl]pyrrolidin-1-ium Traditional Name: 1-[(2S,3R)-3-chloro-2-(4-chlorophenyl)-3-(o-tolyl)-3-(p-tolyl)propyl]pyrrolidin-1-ium Formula: C27H30Cl2N+ MolecularWeight: 439.4398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2C)(C(C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)[C@@](C2=CC=CC=C2C)([C@H](C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H29Cl2N/c1-20-9-13-23(14-10-20)27(29,25-8-4-3-7-21(25)2)26(19-30-17-5-6-18-30)22-11-15-24(28)16-12-22/h3-4,7-16,26H,5-6,17-19H2,1-2H3/p+1/t26-,27-/m1/s1