[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-ethoxycarbonyl-4-piperidyl)ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-ethoxycarbonyl-4-piperidinyl)ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium Traditional Name: (1-carbethoxy-4-piperidyl)-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH2+]CC2=C(NN=C2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH2+]CC2=C(NN=C2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H28N4O2/c1-4-26-20(25)24-9-7-18(8-10-24)21-12-17-13-22-23-19(17)16-6-5-14(2)15(3)11-16/h5-6,11,13,18,21H,4,7-10,12H2,1-3H3,(H,22,23)/p+1