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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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