[4-ethoxycarbonyl-2-(4-methylphenyl)pyrazol-3-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [4-ethoxycarbonyl-2-(4-methylphenyl)pyrazol-3-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[[4-ethoxycarbonyl-2-(p-tolyl)pyrazol-3-yl]methyl]ammonium CAS Name: [4-ethoxycarbonyl-2-(4-methylphenyl)-3-pyrazolyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[4-ethoxycarbonyl-2-(4-methylphenyl)pyrazol-3-yl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[[4-carbethoxy-2-(p-tolyl)pyrazol-3-yl]methyl]ammonium Formula: C26H34N4O2+2 MolecularWeight: 434.57376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c1-3-32-26(31)24-17-28-30(23-11-9-20(2)10-12-23)25(24)18-27-22-13-15-29(16-14-22)19-21-7-5-4-6-8-21/h4-12,17,22,27H,3,13-16,18-19H2,1-2H3/p+2