4-azanyl-3,5,6-tris(chloranyl)-N'-[(3-methyl-1-phenyl-5-pyrrolidin-1-ium-1-ylidene-pyrazol-4-ylidene)methyl]pyridine-2-carbohydrazide

Systemtic Name: 4-azanyl-3,5,6-tris(chloranyl)-N'-[(3-methyl-1-phenyl-5-pyrrolidin-1-ium-1-ylidene-pyrazol-4-ylidene)methyl]pyridine-2-carbohydrazide Openeye Name: 4-amino-3,5,6-trichloro-N'-[(3-methyl-1-phenyl-5-pyrrolidin-1-ium-1-ylidene-pyrazol-4-ylidene)methyl]pyridine-2-carbohydrazide CAS Name: 4-amino-3,5,6-trichloro-N'-[[3-methyl-1-phenyl-5-(1-pyrrolidin-1-iumylidene)-4-pyrazolylidene]methyl]-2-pyridinecarbohydrazide IUPAC Name: 4-amino-3,5,6-trichloro-N'-[(3-methyl-1-phenyl-5-pyrrolidin-1-ium-1-ylidenepyrazol-4-ylidene)methyl]pyridine-2-carbohydrazide Traditional Name: 4-amino-3,5,6-trichloro-N'-[(3-methyl-1-phenyl-5-pyrrolidin-1-ium-1-ylidene-2-pyrazolin-4-ylidene)methyl]picolinohydrazide Formula: C21H21Cl3N7O+ MolecularWeight: 493.79674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]2CCCC2)C1=CNNC(=O)C3=NC(=C(C(=C3Cl)N)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=[N+]2CCCC2)C1=CNNC(=O)C3=NC(=C(C(=C3Cl)N)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H20Cl3N7O/c1-12-14(11-26-28-20(32)18-15(22)17(25)16(23)19(24)27-18)21(30-9-5-6-10-30)31(29-12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H3,25,27,28,32)/p+1