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

Systemtic Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-naphthyloxy)ethanone CAS Name: 1-[4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]-2-(2-naphthalenyloxy)ethanone IUPAC Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone Traditional Name: 1-[4-(4-ethylbenzyl)piperazin-4-ium-1-yl]-2-(2-naphthoxy)ethanone Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H28N2O2/c1-2-20-7-9-21(10-8-20)18-26-13-15-27(16-14-26)25(28)19-29-24-12-11-22-5-3-4-6-23(22)17-24/h3-12,17H,2,13-16,18-19H2,1H3/p+1