1-[(2S,3S)-3-chloranyl-2-(4-chlorophenyl)-6-methyl-3-(4-methylphenyl)heptyl]pyrrolidin-1-ium

Systemtic Name: 1-[(2S,3S)-3-chloranyl-2-(4-chlorophenyl)-6-methyl-3-(4-methylphenyl)heptyl]pyrrolidin-1-ium Openeye Name: 1-[(2S,3S)-3-chloro-2-(4-chlorophenyl)-6-methyl-3-(p-tolyl)heptyl]pyrrolidin-1-ium CAS Name: 1-[(2S,3S)-3-chloro-2-(4-chlorophenyl)-6-methyl-3-(4-methylphenyl)heptyl]pyrrolidin-1-ium IUPAC Name: 1-[(2S,3S)-3-chloro-2-(4-chlorophenyl)-6-methyl-3-(4-methylphenyl)heptyl]pyrrolidin-1-ium Traditional Name: 1-[(2S,3S)-3-chloro-2-(4-chlorophenyl)-6-methyl-3-(p-tolyl)heptyl]pyrrolidin-1-ium Formula: C25H34Cl2N+ MolecularWeight: 419.45016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCC(C)C)(C(C[NH+]2CCCC2)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)[C@](CCC(C)C)([C@H](C[NH+]2CCCC2)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H33Cl2N/c1-19(2)14-15-25(27,22-10-6-20(3)7-11-22)24(18-28-16-4-5-17-28)21-8-12-23(26)13-9-21/h6-13,19,24H,4-5,14-18H2,1-3H3/p+1/t24-,25-/m1/s1