[2-(1H-benzimidazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-prop-2-enyl-azanium

Systemtic Name: [2-(1H-benzimidazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[2-(1H-benzimidazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]ammonium CAS Name: [2-(1H-benzimidazol-2-yl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-prop-2-enylammonium IUPAC Name: [2-(1H-benzimidazol-2-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-prop-2-enylazanium Traditional Name: allyl-[[2-(1H-benzimidazol-2-yl)-4-carbethoxy-pyrazol-3-yl]methyl]ammonium Formula: C17H20N5O2+ MolecularWeight: 326.373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3N2)C[NH2+]CC=C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3N2)C[NH2+]CC=C

InChI

InChI=1S/C17H19N5O2/c1-3-9-18-11-15-12(16(23)24-4-2)10-19-22(15)17-20-13-7-5-6-8-14(13)21-17/h3,5-8,10,18H,1,4,9,11H2,2H3,(H,20,21)/p+1