N-phenyl-3-[2-(propanoylamino)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide chloride

Systemtic Name: N-phenyl-3-[2-(propanoylamino)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide chloride Openeye Name: N-phenyl-3-[2-(propanoylamino)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide chloride CAS Name: 3-[2-(1-oxopropylamino)ethyl]-N-phenyl-1-propyl-2-pyridin-1-iumcarboxamide chloride IUPAC Name: N-phenyl-3-[2-(propanoylamino)ethyl]-1-propylpyridin-1-ium-2-carboxamide chloride Traditional Name: N-phenyl-3-(2-propionamidoethyl)-1-propyl-pyridin-1-ium-2-carboxamide chloride Formula: C20H26ClN3O2 MolecularWeight: 375.89234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2.ClH/c1-3-14-23-15-8-9-16(12-13-21-18(24)4-2)19(23)20(25)22-17-10-6-5-7-11-17;/h5-11,15H,3-4,12-14H2,1-2H3,(H-,21,22,24,25);1H