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

Systemtic Name: 1-[(2S,3S)-3-chloranyl-2-(4-chlorophenyl)-3-(4-methylphenyl)nonyl]pyrrolidin-1-ium Openeye Name: 1-[(2S,3S)-3-chloro-2-(4-chlorophenyl)-3-(p-tolyl)nonyl]pyrrolidin-1-ium CAS Name: 1-[(2S,3S)-3-chloro-2-(4-chlorophenyl)-3-(4-methylphenyl)nonyl]pyrrolidin-1-ium IUPAC Name: 1-[(2S,3S)-3-chloro-2-(4-chlorophenyl)-3-(4-methylphenyl)nonyl]pyrrolidin-1-ium Traditional Name: 1-[(2S,3S)-3-chloro-2-(4-chlorophenyl)-3-(p-tolyl)nonyl]pyrrolidin-1-ium Formula: C26H36Cl2N+ MolecularWeight: 433.47674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35Cl2N/c1-3-4-5-6-17-26(28,23-13-9-21(2)10-14-23)25(20-29-18-7-8-19-29)22-11-15-24(27)16-12-22/h9-16,25H,3-8,17-20H2,1-2H3/p+1/t25-,26-/m1/s1