2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl 4-phenylpiperidine-1-carboxylate chloride

Systemtic Name: 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl 4-phenylpiperidine-1-carboxylate chloride Openeye Name: 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl 4-phenylpiperidine-1-carboxylate chloride CAS Name: 4-phenyl-1-piperidinecarboxylic acid 2-[[2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethoxy-oxomethyl]amino]ethyl ester chloride IUPAC Name: 2-[2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl 4-phenylpiperidine-1-carboxylate chloride Traditional Name: 4-phenylpiperidine-1-carboxylic acid 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethoxycarbonylamino]ethyl ester chloride Formula: C32H39ClN4O5 MolecularWeight: 595.12886

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCOC(=O)NCCOC(=O)N3CCC(CC3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCOC(=O)NCCOC(=O)N3CCC(CC3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C32H38N4O5.ClH/c1-2-19-35-20-9-12-27(29(35)30(37)34-28-13-7-4-8-14-28)17-23-40-31(38)33-18-24-41-32(39)36-21-15-26(16-22-36)25-10-5-3-6-11-25;/h3-14,20,26H,2,15-19,21-24H2,1H3,(H-,33,34,37,38);1H