[2-(2,3-dimethylphenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[(1,3-dimethylpyrazol-4-yl)methyl]azanium

Systemtic Name: [2-(2,3-dimethylphenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[(1,3-dimethylpyrazol-4-yl)methyl]azanium Openeye Name: [2-(2,3-dimethylphenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[(1,3-dimethylpyrazol-4-yl)methyl]ammonium CAS Name: [2-(2,3-dimethylphenyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-[(1,3-dimethyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-(2,3-dimethylphenyl)-4-ethoxycarbonylpyrazol-3-yl]methyl-[(1,3-dimethylpyrazol-4-yl)methyl]azanium Traditional Name: [4-carbethoxy-2-(2,3-dimethylphenyl)pyrazol-3-yl]methyl-[(1,3-dimethylpyrazol-4-yl)methyl]ammonium Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2C)C)C[NH2+]CC3=CN(N=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2C)C)C[NH2+]CC3=CN(N=C3C)C

InChI

InChI=1S/C21H27N5O2/c1-6-28-21(27)18-11-23-26(19-9-7-8-14(2)15(19)3)20(18)12-22-10-17-13-25(5)24-16(17)4/h7-9,11,13,22H,6,10,12H2,1-5H3/p+1