1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-2-one Openeye Name: 1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-2-one CAS Name: 1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 1-phenyl-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-2-one Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(C(=O)C2)C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(C(=O)C2)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C20H24N2O4/c1-24-17-10-9-15(19(25-2)20(17)26-3)13-21-11-12-22(18(23)14-21)16-7-5-4-6-8-16/h4-10H,11-14H2,1-3H3/p+1