ethyl 1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C27H34N3O3+ MolecularWeight: 448.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2C3=CC=CC=C3)C)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2C3=CC=CC=C3)C)CCOC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c1-3-32-26(31)27(16-19-33-24-12-8-5-9-13-24)14-17-30(18-15-27)21-23-20-29(2)28-25(23)22-10-6-4-7-11-22/h4-13,20H,3,14-19,21H2,1-2H3/p+1