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

Systemtic Name: 4-(4-hydroxyphenyl)-4-(4-piperazin-1-ylphenyl)-2-propan-2-yl-1,2,4-triazol-4-ium-3-one Openeye Name: 4-(4-hydroxyphenyl)-2-isopropyl-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one CAS Name: 4-(4-hydroxyphenyl)-4-[4-(1-piperazinyl)phenyl]-2-propan-2-yl-1,2,4-triazol-4-ium-3-one IUPAC Name: 4-(4-hydroxyphenyl)-4-(4-piperazin-1-ylphenyl)-2-propan-2-yl-1,2,4-triazol-4-ium-3-one Traditional Name: 4-(4-hydroxyphenyl)-2-isopropyl-4-(4-piperazinophenyl)-1,2,4-triazol-4-ium-3-one Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)[N+](C=N1)(C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)O

Isomeric SMILES

CC(C)N1C(=O)[N+](C=N1)(C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H25N5O2/c1-16(2)25-21(28)26(15-23-25,19-7-9-20(27)10-8-19)18-5-3-17(4-6-18)24-13-11-22-12-14-24/h3-10,15-16,22H,11-14H2,1-2H3/p+1