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

Systemtic Name: 1-[(2S,3S)-3-chloranyl-2-(4-chlorophenyl)-3-(4-methylphenyl)octyl]pyrrolidin-1-ium Openeye Name: 1-[(2S,3S)-3-chloro-2-(4-chlorophenyl)-3-(p-tolyl)octyl]pyrrolidin-1-ium CAS Name: 1-[(2S,3S)-3-chloro-2-(4-chlorophenyl)-3-(4-methylphenyl)octyl]pyrrolidin-1-ium IUPAC Name: 1-[(2S,3S)-3-chloro-2-(4-chlorophenyl)-3-(4-methylphenyl)octyl]pyrrolidin-1-ium Traditional Name: 1-[(2S,3S)-3-chloro-2-(4-chlorophenyl)-3-(p-tolyl)octyl]pyrrolidin-1-ium Formula: C25H34Cl2N+ MolecularWeight: 419.45016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)C)(C(C[NH+]2CCCC2)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCC[C@@](C1=CC=C(C=C1)C)([C@H](C[NH+]2CCCC2)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H33Cl2N/c1-3-4-5-16-25(27,22-12-8-20(2)9-13-22)24(19-28-17-6-7-18-28)21-10-14-23(26)15-11-21/h8-15,24H,3-7,16-19H2,1-2H3/p+1/t24-,25-/m1/s1