2-(3,5-diaminocarbonyl-4-ethyl-1-phenyl-6-propyl-pyridin-1-ium-2-yl)ethyl N-naphthalen-1-ylcarbamate chloride

Systemtic Name: 2-(3,5-diaminocarbonyl-4-ethyl-1-phenyl-6-propyl-pyridin-1-ium-2-yl)ethyl N-naphthalen-1-ylcarbamate chloride Openeye Name: 2-(3,5-dicarbamoyl-4-ethyl-1-phenyl-6-propyl-pyridin-1-ium-2-yl)ethyl N-(1-naphthyl)carbamate chloride CAS Name: N-(1-naphthalenyl)carbamic acid 2-(3,5-dicarbamoyl-4-ethyl-1-phenyl-6-propyl-2-pyridin-1-iumyl)ethyl ester chloride IUPAC Name: 2-(3,5-dicarbamoyl-4-ethyl-1-phenyl-6-propylpyridin-1-ium-2-yl)ethyl N-naphthalen-1-ylcarbamate chloride Traditional Name: N-(1-naphthyl)carbamic acid 2-(3,5-dicarbamoyl-4-ethyl-1-phenyl-6-propyl-pyridin-1-ium-2-yl)ethyl ester chloride Formula: C31H33ClN4O4 MolecularWeight: 561.07112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C(=C(C(=C1C(=O)N)CC)C(=O)N)CCOC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCCC1=[N+](C(=C(C(=C1C(=O)N)CC)C(=O)N)CCOC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C31H32N4O4.ClH/c1-3-11-25-27(29(32)36)22(4-2)28(30(33)37)26(35(25)21-14-6-5-7-15-21)18-19-39-31(38)34-24-17-10-13-20-12-8-9-16-23(20)24;/h5-10,12-17H,3-4,11,18-19H2,1-2H3,(H4-,32,33,34,36,37,38);1H