ethyl 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(1,5-dimethyl-4-pyrazolyl)methyl]-4-(3-phenylpropyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(N(N=C2)C)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(N(N=C2)C)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H33N3O2/c1-4-28-22(27)23(12-8-11-20-9-6-5-7-10-20)13-15-26(16-14-23)18-21-17-24-25(3)19(21)2/h5-7,9-10,17H,4,8,11-16,18H2,1-3H3/p+1