4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-3-pyridin-3-yl-1H-1,2,4-triazol-4-ium-5-one

Systemtic Name: 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-3-pyridin-3-yl-1H-1,2,4-triazol-4-ium-5-one Openeye Name: 4-allyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-(3-pyridyl)-1H-1,2,4-triazol-4-ium-5-one CAS Name: 4-[[2-(2-methoxyphenyl)-1-piperazinyl]methyl]-4-prop-2-enyl-3-(3-pyridinyl)-1H-1,2,4-triazol-4-ium-5-one IUPAC Name: 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-3-pyridin-3-yl-1H-1,2,4-triazol-4-ium-5-one Traditional Name: 4-allyl-4-[[2-(2-methoxyphenyl)piperazino]methyl]-3-(3-pyridyl)-1H-1,2,4-triazol-4-ium-5-one Formula: C22H27N6O2+ MolecularWeight: 407.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CNCCN2C[N+]3(C(=NNC3=O)C4=CN=CC=C4)CC=C

Isomeric SMILES

COC1=CC=CC=C1C2CNCCN2C[N+]3(C(=NNC3=O)C4=CN=CC=C4)CC=C

InChI

InChI=1S/C22H26N6O2/c1-3-13-28(21(25-26-22(28)29)17-7-6-10-23-14-17)16-27-12-11-24-15-19(27)18-8-4-5-9-20(18)30-2/h3-10,14,19,24H,1,11-13,15-16H2,2H3/p+1