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

Systemtic Name: 4-(4-hydroxyphenyl)-2-pentyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one Openeye Name: 4-(4-hydroxyphenyl)-2-pentyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one CAS Name: 4-(4-hydroxyphenyl)-2-pentyl-4-[4-(1-piperazinyl)phenyl]-1,2,4-triazol-4-ium-3-one IUPAC Name: 4-(4-hydroxyphenyl)-2-pentyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one Traditional Name: 2-amyl-4-(4-hydroxyphenyl)-4-(4-piperazinophenyl)-1,2,4-triazol-4-ium-3-one Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)[N+](C=N1)(C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)O

Isomeric SMILES

CCCCCN1C(=O)[N+](C=N1)(C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H29N5O2/c1-2-3-4-15-27-23(30)28(18-25-27,21-9-11-22(29)12-10-21)20-7-5-19(6-8-20)26-16-13-24-14-17-26/h5-12,18,24H,2-4,13-17H2,1H3/p+1