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

Systemtic Name: 1-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[(2,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-phenylethanone IUPAC Name: 1-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenylethanone Traditional Name: 1-[4-(2,4-dimethoxybenzyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O3/c1-25-19-9-8-18(20(15-19)26-2)16-22-10-12-23(13-11-22)21(24)14-17-6-4-3-5-7-17/h3-9,15H,10-14,16H2,1-2H3/p+1