(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-4-(4-cyclohexylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-4-(4-cyclohexylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-4-(4-cyclohexylphenyl)-4-oxo-butanoate CAS Name: (2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-4-(4-cyclohexylphenyl)-4-oxobutanoate IUPAC Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-4-(4-cyclohexylphenyl)-4-oxobutanoate Traditional Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-4-(4-cyclohexylphenyl)-4-keto-butyrate Formula: C26H31ClN2O3 MolecularWeight: 454.98894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CC(C(=O)[O-])[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[C@H](C(=O)[O-])[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H31ClN2O3/c27-22-7-4-8-23(17-22)28-13-15-29(16-14-28)24(26(31)32)18-25(30)21-11-9-20(10-12-21)19-5-2-1-3-6-19/h4,7-12,17,19,24H,1-3,5-6,13-16,18H2,(H,31,32)/t24-/m1/s1