1-[(1-phenyl-3-pyridin-3-yl-pyrazol-1-ium-4-ylidene)methyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)diazane

Systemtic Name: 1-[(1-phenyl-3-pyridin-3-yl-pyrazol-1-ium-4-ylidene)methyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)diazane Openeye Name: 1-[[1-phenyl-3-(3-pyridyl)pyrazol-1-ium-4-ylidene]methyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine CAS Name: 1-[[1-phenyl-3-(3-pyridinyl)-4-pyrazol-1-iumylidene]methyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine IUPAC Name: 1-[(1-phenyl-3-pyridin-3-ylpyrazol-1-ium-4-ylidene)methyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine Traditional Name: 1-[[1-phenyl-3-(3-pyridyl)pyrazol-1-ium-4-ylidene]methyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine Formula: C21H23N6+ MolecularWeight: 359.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NNC=C2C=[N+](N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=NCC1)NNC=C2C=[N+](N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6/c1-3-9-19(10-4-1)27-16-18(21(26-27)17-8-7-12-22-14-17)15-24-25-20-11-5-2-6-13-23-20/h1,3-4,7-10,12,14-16H,2,5-6,11,13H2,(H,23,25)/p+1