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

Systemtic Name: ethyl 1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H29ClN3O2+ MolecularWeight: 390.92686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(N(N=C2C)C)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(N(N=C2C)C)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H28ClN3O2/c1-4-27-20(26)21(14-17-8-6-5-7-9-17)10-12-25(13-11-21)15-18-16(2)23-24(3)19(18)22/h5-9H,4,10-15H2,1-3H3/p+1