(3S)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (3S)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (3S)-3-(4-chlorophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)-1-(p-tolyl)propan-1-one CAS Name: (3S)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (3S)-3-(4-chlorophenyl)-1-(4-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (3S)-3-(4-chlorophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)-1-(p-tolyl)propan-1-one Formula: C26H28ClN2O+ MolecularWeight: 419.96632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Cl)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@@H](C2=CC=C(C=C2)Cl)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H27ClN2O/c1-20-7-9-22(10-8-20)26(30)19-25(21-11-13-23(27)14-12-21)29-17-15-28(16-18-29)24-5-3-2-4-6-24/h2-14,25H,15-19H2,1H3/p+1/t25-/m0/s1