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

Systemtic Name: ethyl 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NNC(=C2)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NNC(=C2)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2/c1-3-25-19(24)20(14-17-7-5-4-6-8-17)9-11-23(12-10-20)15-18-13-16(2)21-22-18/h4-8,13H,3,9-12,14-15H2,1-2H3,(H,21,22)/p+1