ethyl 1-[(1-methylpyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1-methylpyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-methylpyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-methylpyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O3/c1-3-26-20(25)21(11-14-27-19-7-5-4-6-8-19)9-12-24(13-10-21)17-18-15-22-23(2)16-18/h4-8,15-16H,3,9-14,17H2,1-2H3/p+1