1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(4-ethylbenzyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-2-18-8-10-19(11-9-18)16-22-12-14-23(15-13-22)21(24)17-25-20-6-4-3-5-7-20/h3-11H,2,12-17H2,1H3/p+1