1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-[4-(4-hydroxyphenyl)piperazino]ethanone Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C24H31N3O2/c28-23-8-6-22(7-9-23)26-14-16-27(17-15-26)24(29)19-25-12-10-21(11-13-25)18-20-4-2-1-3-5-20/h1-9,21,28H,10-19H2/p+1