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

Systemtic Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

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