1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 2,2-diphenyl-1-(4-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N2O3/c1-31-24-14-13-21(19-25(24)32-2)20-28-15-17-29(18-16-28)27(30)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,26H,15-18,20H2,1-2H3/p+1