2-[5-nitro-2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-(2-naphthalen-1-yloxyethyl)carbamate iodide

Systemtic Name: 2-[5-nitro-2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-(2-naphthalen-1-yloxyethyl)carbamate iodide Openeye Name: 2-[5-nitro-2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-[2-(1-naphthyloxy)ethyl]carbamate iodide CAS Name: N-[2-(1-naphthalenyloxy)ethyl]carbamic acid 2-[2-[anilino(oxo)methyl]-5-nitro-1-propyl-3-pyridin-1-iumyl]ethyl ester iodide IUPAC Name: 2-[5-nitro-2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethyl N-(2-naphthalen-1-yloxyethyl)carbamate iodide Traditional Name: N-[2-(1-naphthoxy)ethyl]carbamic acid 2-[5-nitro-2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl ester iodide Formula: C30H31IN4O6 MolecularWeight: 670.49481

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=CC(=C1)[N+](=O)[O-])CCOC(=O)NCCOC2=CC=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4.[I-]

Isomeric SMILES

CCC[N+]1=C(C(=CC(=C1)[N+](=O)[O-])CCOC(=O)NCCOC2=CC=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4.[I-]

InChI

InChI=1S/C30H30N4O6.HI/c1-2-17-33-21-25(34(37)38)20-23(28(33)29(35)32-24-11-4-3-5-12-24)15-18-40-30(36)31-16-19-39-27-14-8-10-22-9-6-7-13-26(22)27;/h3-14,20-21H,2,15-19H2,1H3,(H-,31,32,35,36);1H