(phenylmethyl) 3-butoxy-1-methyl-4-phenylazanyl-piperidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 3-butoxy-1-methyl-4-phenylazanyl-piperidin-1-ium-1-carboxylate Openeye Name: benzyl 4-anilino-3-butoxy-1-methyl-piperidin-1-ium-1-carboxylate CAS Name: 4-anilino-3-butoxy-1-methyl-1-piperidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-anilino-3-butoxy-1-methylpiperidin-1-ium-1-carboxylate Traditional Name: 4-anilino-3-butoxy-1-methyl-piperidin-1-ium-1-carboxylic acid benzyl ester Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C[N+](CCC1NC2=CC=CC=C2)(C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1C[N+](CCC1NC2=CC=CC=C2)(C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H33N2O3/c1-3-4-17-28-23-18-26(2,24(27)29-19-20-11-7-5-8-12-20)16-15-22(23)25-21-13-9-6-10-14-21/h5-14,22-23,25H,3-4,15-19H2,1-2H3/q+1