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

Systemtic Name: [2-(1H-benzimidazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-[[2-(1H-benzimidazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]ammonium CAS Name: [2-(1H-benzimidazol-2-yl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-bis(prop-2-enyl)ammonium IUPAC Name: [2-(1H-benzimidazol-2-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-[[2-(1H-benzimidazol-2-yl)-4-carbethoxy-pyrazol-3-yl]methyl]ammonium Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2/c1-4-11-24(12-5-2)14-18-15(19(26)27-6-3)13-21-25(18)20-22-16-9-7-8-10-17(16)23-20/h4-5,7-10,13H,1-2,6,11-12,14H2,3H3,(H,22,23)/p+1