1-[[3-(1H-imidazol-5-yl)propylhydrazinylidene]methylidene]-5-methyl-4-(3-nitrophenyl)-6-piperazin-1-yl-1,2-diazinan-1-ium-3-one

Systemtic Name: 1-[[3-(1H-imidazol-5-yl)propylhydrazinylidene]methylidene]-5-methyl-4-(3-nitrophenyl)-6-piperazin-1-yl-1,2-diazinan-1-ium-3-one Openeye Name: 1-[[3-(1H-imidazol-5-yl)propylhydrazono]methylene]-5-methyl-4-(3-nitrophenyl)-6-piperazin-1-yl-hexahydropyridazin-1-ium-3-one CAS Name: 1-[[3-(1H-imidazol-5-yl)propylhydrazinylidene]methylidene]-5-methyl-4-(3-nitrophenyl)-6-(1-piperazinyl)-3-diazinan-1-iumone IUPAC Name: 1-[[3-(1H-imidazol-5-yl)propylhydrazinylidene]methylidene]-5-methyl-4-(3-nitrophenyl)-6-piperazin-1-yldiazinan-1-ium-3-one Traditional Name: 1-[[3-(1H-imidazol-5-yl)propylhydrazono]methylene]-5-methyl-4-(3-nitrophenyl)-6-piperazino-hexahydropyridazin-1-ium-3-one Formula: C22H30N9O3+ MolecularWeight: 468.5321

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N[N+](=C=NNCCCC2=CN=CN2)C1N3CCNCC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(=O)N[N+](=C=NNCCCC2=CN=CN2)C1N3CCNCC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N9O3/c1-16-20(17-4-2-6-19(12-17)31(33)34)21(32)28-30(22(16)29-10-8-23-9-11-29)15-27-26-7-3-5-18-13-24-14-25-18/h2,4,6,12-14,16,20,22-23,26H,3,5,7-11H2,1H3,(H-,24,25,28,32)/p+1