2-butan-2-yl-4-(4-methoxyphenyl)-4-(4-piperazin-1-ylphenyl)-1,2,4-triazol-4-ium-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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