[(3S)-3-(4-chlorophenyl)-4-phenyl-butyl]-(1-methylpiperidin-1-ium-4-ylidene)azanium

Systemtic Name: [(3S)-3-(4-chlorophenyl)-4-phenyl-butyl]-(1-methylpiperidin-1-ium-4-ylidene)azanium Openeye Name: [(3S)-3-(4-chlorophenyl)-4-phenyl-butyl]-(1-methylpiperidin-1-ium-4-ylidene)ammonium CAS Name: [(3S)-3-(4-chlorophenyl)-4-phenylbutyl]-(1-methyl-4-piperidin-1-iumylidene)ammonium IUPAC Name: [(3S)-3-(4-chlorophenyl)-4-phenylbutyl]-(1-methylpiperidin-1-ium-4-ylidene)azanium Traditional Name: [(3S)-3-(4-chlorophenyl)-4-phenyl-butyl]-(1-methylpiperidin-1-ium-4-ylidene)ammonium Formula: C22H29ClN2+2 MolecularWeight: 356.93206

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=[NH+]CCC(CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC1

Isomeric SMILES

C[NH+]1CCC(=[NH+]CC[C@H](CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC1

InChI

InChI=1S/C22H27ClN2/c1-25-15-12-22(13-16-25)24-14-11-20(17-18-5-3-2-4-6-18)19-7-9-21(23)10-8-19/h2-10,20H,11-17H2,1H3/p+2/t20-/m1/s1