2-(4-methoxyphenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-4-propyl-1,2,4-triazol-4-ium-3-one

Systemtic Name: 2-(4-methoxyphenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-4-propyl-1,2,4-triazol-4-ium-3-one Openeye Name: 2-(4-methoxyphenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-4-propyl-1,2,4-triazol-4-ium-3-one CAS Name: 2-(4-methoxyphenyl)-5-methyl-4-[4-(1-piperazinyl)phenyl]-4-propyl-1,2,4-triazol-4-ium-3-one IUPAC Name: 2-(4-methoxyphenyl)-5-methyl-4-(4-piperazin-1-ylphenyl)-4-propyl-1,2,4-triazol-4-ium-3-one Traditional Name: 2-(4-methoxyphenyl)-5-methyl-4-(4-piperazinophenyl)-4-propyl-1,2,4-triazol-4-ium-3-one Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N5O2/c1-4-17-28(21-9-5-19(6-10-21)26-15-13-24-14-16-26)18(2)25-27(23(28)29)20-7-11-22(30-3)12-8-20/h5-12,24H,4,13-17H2,1-3H3/q+1