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

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-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+]2CCC(CC2)(CC3=CC(=CC=C3)OC)C(=O)OCC)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC(CC2)(CC3=CC(=CC=C3)OC)C(=O)OCC)C

InChI

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