2,6-dimethoxy-4-[[4-(2-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]phenolate

Systemtic Name: 2,6-dimethoxy-4-[[4-(2-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]phenolate Openeye Name: 2,6-dimethoxy-4-[[4-(2-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]phenolate CAS Name: 2,6-dimethoxy-4-[[4-[(2-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]phenolate IUPAC Name: 2,6-dimethoxy-4-[[4-(2-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]phenolate Traditional Name: 2,6-dimethoxy-4-[(4-o-anisoylpiperazin-1-ium-1-yl)methyl]phenolate Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)[O-])OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)[O-])OC

InChI

InChI=1S/C21H26N2O5/c1-26-17-7-5-4-6-16(17)21(25)23-10-8-22(9-11-23)14-15-12-18(27-2)20(24)19(13-15)28-3/h4-7,12-13,24H,8-11,14H2,1-3H3