2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl carbamate chloride

Systemtic Name: 2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl carbamate chloride Openeye Name: 2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl carbamate chloride CAS Name: carbamic acid 2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethyl ester chloride IUPAC Name: 2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethyl carbamate chloride Traditional Name: carbamic acid 2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl ester chloride Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3.ClH/c1-2-11-21-12-6-7-14(10-13-24-18(19)23)16(21)17(22)20-15-8-4-3-5-9-15;/h3-9,12H,2,10-11,13H2,1H3,(H2-,19,20,22,23);1H