methyl (2R)-2-(2-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-(4-veratroylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C22H26ClN2O5+ MolecularWeight: 433.90524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3Cl)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)[C@H](C3=CC=CC=C3Cl)C(=O)OC)OC

InChI

InChI=1S/C22H25ClN2O5/c1-28-18-9-8-15(14-19(18)29-2)21(26)25-12-10-24(11-13-25)20(22(27)30-3)16-6-4-5-7-17(16)23/h4-9,14,20H,10-13H2,1-3H3/p+1/t20-/m1/s1