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

Systemtic Name: 2-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethanoylamino]ethyl N-naphthalen-1-ylcarbamate chloride Openeye Name: 2-[[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]acetyl]amino]ethyl N-(1-naphthyl)carbamate chloride CAS Name: N-(1-naphthalenyl)carbamic acid 2-[[2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]-1-oxoethyl]amino]ethyl ester chloride IUPAC Name: 2-[[2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]acetyl]amino]ethyl N-naphthalen-1-ylcarbamate chloride Traditional Name: N-(1-naphthyl)carbamic acid 2-[[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]acetyl]amino]ethyl ester chloride Formula: C30H31ClN4O4 MolecularWeight: 547.04454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N4O4.ClH/c1-2-18-34-19-9-12-23(28(34)29(36)32-24-13-4-3-5-14-24)21-27(35)31-17-20-38-30(37)33-26-16-8-11-22-10-6-7-15-25(22)26;/h3-16,19H,2,17-18,20-21H2,1H3,(H2-,31,32,33,35,36,37);1H