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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=NN(C1=O)C2=CC=C(C=C2)O)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

CCC[N+]1(C=NN(C1=O)C2=CC=C(C=C2)O)C3=CC=C(C=C3)N4CCNCC4

InChI

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