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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)[N+](C=N1)(C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)O

Isomeric SMILES

CCCN1C(=O)[N+](C=N1)(C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)O

InChI

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