[6-[(4-methanoylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] benzoate hydrochloride

Systemtic Name: [6-[(4-methanoylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] benzoate hydrochloride Openeye Name: [6-[(4-formylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] benzoate hydrochloride CAS Name: benzoic acid [6-[(4-formyl-1-piperazinyl)methyl]-2,3-dimethoxyphenyl] ester hydrochloride IUPAC Name: [6-[(4-formylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] benzoate hydrochloride Traditional Name: benzoic acid [6-[(4-formylpiperazino)methyl]-2,3-dimethoxy-phenyl] ester hydrochloride Formula: C21H25ClN2O5 MolecularWeight: 420.8866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C=O)OC(=O)C3=CC=CC=C3)OC.Cl

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C=O)OC(=O)C3=CC=CC=C3)OC.Cl

InChI

InChI=1S/C21H24N2O5.ClH/c1-26-18-9-8-17(14-22-10-12-23(15-24)13-11-22)19(20(18)27-2)28-21(25)16-6-4-3-5-7-16;/h3-9,15H,10-14H2,1-2H3;1H