ethyl (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(o-tolylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-[(2-methylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(2-methylbenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCCC(C2)(CC3=CC=CC=C3C)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@@](C2)(CC3=CC=CC=C3C)C(=O)OCC

InChI

InChI=1S/C23H33N3O2/c1-5-26-16-21(19(4)24-26)15-25-13-9-12-23(17-25,22(27)28-6-2)14-20-11-8-7-10-18(20)3/h7-8,10-11,16H,5-6,9,12-15,17H2,1-4H3/p+1/t23-/m0/s1