ethyl 5-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-1-(2,3-dimethylphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-1-(2,3-dimethylphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-1-(2,3-dimethylphenyl)pyrazole-4-carboxylate CAS Name: 5-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-1-(2,3-dimethylphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-1-(2,3-dimethylphenyl)pyrazole-4-carboxylate Traditional Name: 5-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-1-(2,3-dimethylphenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2C)C)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2C)C)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H28N4O3/c1-4-28-21(27)17-12-23-25(18-7-5-6-14(2)15(18)3)19(17)13-24-10-8-16(9-11-24)20(22)26/h5-7,12,16H,4,8-11,13H2,1-3H3,(H2,22,26)/p+1