N'-naphthalen-1-yl-N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]butanediamide chloride

Systemtic Name: N'-naphthalen-1-yl-N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]butanediamide chloride Openeye Name: N'-(1-naphthyl)-N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]butanediamide chloride CAS Name: N-[2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethyl]-N'-(1-naphthalenyl)butanediamide chloride IUPAC Name: N'-naphthalen-1-yl-N-[2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethyl]butanediamide chloride Traditional Name: N'-(1-naphthyl)-N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]succinamide chloride Formula: C31H33ClN4O3 MolecularWeight: 545.07172

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCNC(=O)CCC(=O)NC3=CC=CC4=CC=CC=C43.[Cl-]

Isomeric SMILES

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCNC(=O)CCC(=O)NC3=CC=CC4=CC=CC=C43.[Cl-]

InChI

InChI=1S/C31H32N4O3.ClH/c1-2-21-35-22-9-12-24(30(35)31(38)33-25-13-4-3-5-14-25)19-20-32-28(36)17-18-29(37)34-27-16-8-11-23-10-6-7-15-26(23)27;/h3-16,22H,2,17-21H2,1H3,(H2-,32,33,34,36,37,38);1H