2-[4-(2,6-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[4-(2,6-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[4-[(2,6-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C22H26N2O5/c1-27-17-9-7-16(8-10-17)18(25)15-23-11-13-24(14-12-23)22(26)21-19(28-2)5-4-6-20(21)29-3/h4-10H,11-15H2,1-3H3/p+1