4-(4-hydroxyphenyl)-4-(4-piperazin-1-ylphenyl)-2-piperidin-4-yl-1,2,4-triazol-4-ium-3-one

Systemtic Name: 4-(4-hydroxyphenyl)-4-(4-piperazin-1-ylphenyl)-2-piperidin-4-yl-1,2,4-triazol-4-ium-3-one Openeye Name: 4-(4-hydroxyphenyl)-4-(4-piperazin-1-ylphenyl)-2-(4-piperidyl)-1,2,4-triazol-4-ium-3-one CAS Name: 4-(4-hydroxyphenyl)-4-[4-(1-piperazinyl)phenyl]-2-(4-piperidinyl)-1,2,4-triazol-4-ium-3-one IUPAC Name: 4-(4-hydroxyphenyl)-4-(4-piperazin-1-ylphenyl)-2-piperidin-4-yl-1,2,4-triazol-4-ium-3-one Traditional Name: 4-(4-hydroxyphenyl)-4-(4-piperazinophenyl)-2-(4-piperidyl)-1,2,4-triazol-4-ium-3-one Formula: C23H29N6O2+ MolecularWeight: 421.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C(=O)[N+](C=N2)(C3=CC=C(C=C3)N4CCNCC4)C5=CC=C(C=C5)O

Isomeric SMILES

C1CNCCC1N2C(=O)[N+](C=N2)(C3=CC=C(C=C3)N4CCNCC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C23H28N6O2/c30-22-7-5-21(6-8-22)29(17-26-28(23(29)31)19-9-11-24-12-10-19)20-3-1-18(2-4-20)27-15-13-25-14-16-27/h1-8,17,19,24-25H,9-16H2/p+1