[[4-ethoxycarbonyl-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-2-ium-3-yl]amino]methylidene-dimethyl-azanium

Systemtic Name: [[4-ethoxycarbonyl-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-2-ium-3-yl]amino]methylidene-dimethyl-azanium Openeye Name: [[4-ethoxycarbonyl-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-2-ium-3-yl]amino]methylene-dimethyl-ammonium CAS Name: [[4-ethoxycarbonyl-2-(1-methyl-2-benzimidazolyl)-1H-pyrazol-2-ium-3-yl]amino]methylidene-dimethylammonium IUPAC Name: [[4-ethoxycarbonyl-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-2-ium-3-yl]amino]methylidene-dimethylazanium Traditional Name: [[4-carbethoxy-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-2-ium-3-yl]amino]methylene-dimethyl-ammonium Formula: C17H22N6O2+2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN[N+](=C1NC=[N+](C)C)C2=NC3=CC=CC=C3N2C

Isomeric SMILES

CCOC(=O)C1=CN[N+](=C1NC=[N+](C)C)C2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C17H20N6O2/c1-5-25-16(24)12-10-19-23(15(12)18-11-21(2)3)17-20-13-8-6-7-9-14(13)22(17)4/h6-11H,5H2,1-4H3/p+2