2-[4-aminocarbonyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-naphthalen-1-ylcarbamate chloride

Systemtic Name: 2-[4-aminocarbonyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-naphthalen-1-ylcarbamate chloride Openeye Name: 2-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-(1-naphthyl)carbamate chloride CAS Name: N-(1-naphthalenyl)carbamic acid 2-[6-[anilino(oxo)methyl]-4-carbamoyl-5-ethyl-1-propyl-3-pyridin-1-iumyl]ethyl ester chloride IUPAC Name: 2-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethyl N-naphthalen-1-ylcarbamate chloride Traditional Name: N-(1-naphthyl)carbamic acid 2-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl ester chloride Formula: C31H33ClN4O4 MolecularWeight: 561.07112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=C(C(=C1)CCOC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)N)CC)C(=O)NC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCC[N+]1=C(C(=C(C(=C1)CCOC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)N)CC)C(=O)NC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C31H32N4O4.ClH/c1-3-18-35-20-22(17-19-39-31(38)34-26-16-10-12-21-11-8-9-15-25(21)26)27(29(32)36)24(4-2)28(35)30(37)33-23-13-6-5-7-14-23;/h5-16,20H,3-4,17-19H2,1-2H3,(H3-,32,33,34,36,37,38);1H