ethyl (3R)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-benzyl-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-benzyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-benzyl-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+]2CCCC(C2)(CC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC[C@](C2)(CC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C23H33N3O2/c1-4-13-26-19(3)21(16-24-26)17-25-14-9-12-23(18-25,22(27)28-5-2)15-20-10-7-6-8-11-20/h6-8,10-11,16H,4-5,9,12-15,17-18H2,1-3H3/p+1/t23-/m1/s1