2-(3-methylphenoxy)-1-[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]ethanone Traditional Name: 2-(3-methylphenoxy)-1-[4-(4-phenylpiperazin-1-ium-1-yl)piperidino]ethanone Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O2/c1-20-6-5-9-23(18-20)29-19-24(28)27-12-10-22(11-13-27)26-16-14-25(15-17-26)21-7-3-2-4-8-21/h2-9,18,22H,10-17,19H2,1H3/p+1