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

Systemtic Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: (2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-4-(4-ethoxyphenyl)-4-oxobutanoate IUPAC Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-4-keto-4-p-phenetyl-butyrate Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-2-29-19-8-6-16(7-9-19)21(26)15-20(22(27)28)25-12-10-24(11-13-25)18-5-3-4-17(23)14-18/h3-9,14,20H,2,10-13,15H2,1H3,(H,27,28)/t20-/m1/s1