ethyl 1-(4-methylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(p-tolyl)-5-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-carboxylate CAS Name: 1-(4-methylphenyl)-5-(1-pyrrolidin-1-iumylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-carboxylate Traditional Name: 1-(p-tolyl)-5-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C)C[NH+]3CCCC3

InChI

InChI=1S/C18H23N3O2/c1-3-23-18(22)16-12-19-21(15-8-6-14(2)7-9-15)17(16)13-20-10-4-5-11-20/h6-9,12H,3-5,10-11,13H2,1-2H3/p+1