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

Systemtic Name: ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-m-anisyl-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H36N3O3+ MolecularWeight: 414.56094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O3/c1-5-12-27-19(3)21(16-25-27)17-26-13-8-11-24(18-26,23(28)30-6-2)15-20-9-7-10-22(14-20)29-4/h7,9-10,14,16H,5-6,8,11-13,15,17-18H2,1-4H3/p+1/t24-/m1/s1