2-[[4-(1-ethylbenzotriazol-5-yl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(1-ethylbenzotriazol-5-yl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(1-ethylbenzotriazole-5-carbonyl)piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H24N7O2+ MolecularWeight: 418.47166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC(=O)[N+]5=CC=CC=C5N4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC(=O)[N+]5=CC=CC=C5N4)N=N1

InChI

InChI=1S/C22H23N7O2/c1-2-29-19-7-6-16(13-18(19)24-25-29)22(31)27-11-9-26(10-12-27)15-17-14-21(30)28-8-4-3-5-20(28)23-17/h3-8,13-14H,2,9-12,15H2,1H3/p+1