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

Systemtic Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-2-31-25-15-13-22(14-16-25)21-28-17-19-29(20-18-28)27(30)26(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,26H,2,17-21H2,1H3/p+1