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

Systemtic Name: 2-[3-(2-aminocarbonyloxyethyl)-2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-4-yl]ethyl piperidine-1-carboxylate chloride Openeye Name: 2-[3-(2-carbamoyloxyethyl)-2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-4-yl]ethyl piperidine-1-carboxylate chloride CAS Name: 1-piperidinecarboxylic acid 2-[2-[anilino(oxo)methyl]-3-(2-carbamoyloxyethyl)-1-propyl-4-pyridin-1-iumyl]ethyl ester chloride IUPAC Name: 2-[3-(2-carbamoyloxyethyl)-2-(phenylcarbamoyl)-1-propylpyridin-1-ium-4-yl]ethyl piperidine-1-carboxylate chloride Traditional Name: piperidine-1-carboxylic acid 2-[3-(2-carbamoyloxyethyl)-2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-4-yl]ethyl ester chloride Formula: C26H35ClN4O5 MolecularWeight: 519.0329

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=C(C=C1)CCOC(=O)N2CCCCC2)CCOC(=O)N)C(=O)NC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCC[N+]1=C(C(=C(C=C1)CCOC(=O)N2CCCCC2)CCOC(=O)N)C(=O)NC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C26H34N4O5.ClH/c1-2-14-29-17-11-20(12-18-35-26(33)30-15-7-4-8-16-30)22(13-19-34-25(27)32)23(29)24(31)28-21-9-5-3-6-10-21;/h3,5-6,9-11,17H,2,4,7-8,12-16,18-19H2,1H3,(H2-,27,28,31,32);1H