ethyl 1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H38N3O2+ MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(N(N=C2C)C(C)C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(N(N=C2C)C(C)C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C25H37N3O2/c1-6-30-24(29)25(13-12-22-10-8-7-9-11-22)14-16-27(17-15-25)18-23-20(4)26-28(19(2)3)21(23)5/h7-11,19H,6,12-18H2,1-5H3/p+1