2-(4-hydroxyphenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-4-propyl-1,2,4-triazolidin-4-ium-3-one

Systemtic Name: 2-(4-hydroxyphenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-4-propyl-1,2,4-triazolidin-4-ium-3-one Openeye Name: 2-(4-hydroxyphenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-4-propyl-1,2,4-triazolidin-4-ium-3-one CAS Name: 2-(4-hydroxyphenyl)-5-methyl-4-[4-(1-piperazinyl)phenyl]-4-propyl-1,2,4-triazolidin-4-ium-3-one IUPAC Name: 2-(4-hydroxyphenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-4-propyl-1,2,4-triazolidin-4-ium-3-one Traditional Name: 2-(4-hydroxyphenyl)-5-methyl-4-(4-piperazinophenyl)-4-propyl-1,2,4-triazolidin-4-ium-3-one Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-3-16-27(20-8-4-18(5-9-20)25-14-12-23-13-15-25)17(2)24-26(22(27)29)19-6-10-21(28)11-7-19/h4-11,17,23-24H,3,12-16H2,1-2H3/p+1