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

Systemtic Name: ethyl 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-(3-phenylpropyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H33ClN3O2+ MolecularWeight: 418.98002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(N(N=C2C)C)Cl)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(N(N=C2C)C)Cl)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H32ClN3O2/c1-4-29-22(28)23(12-8-11-19-9-6-5-7-10-19)13-15-27(16-14-23)17-20-18(2)25-26(3)21(20)24/h5-7,9-10H,4,8,11-17H2,1-3H3/p+1