ethyl 1-[(1-methylpyrazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1-methylpyrazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-methylpyrazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-methylpyrazol-4-yl)methyl]-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2)C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2)C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2/c1-3-26-20(25)21(10-9-18-7-5-4-6-8-18)11-13-24(14-12-21)17-19-15-22-23(2)16-19/h4-8,15-16H,3,9-14,17H2,1-2H3/p+1