methyl 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCC(CC2)C(=O)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC(CC2)C(=O)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H22ClN3O2/c1-13-16(12-21-10-8-14(9-11-21)18(23)24-2)17(19)22(20-13)15-6-4-3-5-7-15/h3-7,14H,8-12H2,1-2H3/p+1