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

Systemtic Name: 2-naphthalen-1-yloxyethyl N-[2-[[5-bromanyl-1-(3-methylbutyl)pyridin-1-ium-3-yl]carbonyl-phenyl-amino]ethyl]carbamate iodide Openeye Name: 2-(1-naphthyloxy)ethyl N-[2-(N-(5-bromo-1-isopentyl-pyridin-1-ium-3-carbonyl)anilino)ethyl]carbamate iodide CAS Name: N-[2-(N-[[5-bromo-1-(3-methylbutyl)-3-pyridin-1-iumyl]-oxomethyl]anilino)ethyl]carbamic acid 2-(1-naphthalenyloxy)ethyl ester iodide IUPAC Name: 2-naphthalen-1-yloxyethyl N-[2-(N-[5-bromo-1-(3-methylbutyl)pyridin-1-ium-3-carbonyl]anilino)ethyl]carbamate iodide Traditional Name: N-[2-(N-(5-bromo-1-isoamyl-pyridin-1-ium-3-carbonyl)anilino)ethyl]carbamic acid 2-(1-naphthoxy)ethyl ester iodide Formula: C32H35BrIN3O4 MolecularWeight: 732.44647

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCNC(=O)OCCOC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC(C)CC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCNC(=O)OCCOC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C32H34BrN3O4.HI/c1-24(2)15-17-35-22-26(21-27(33)23-35)31(37)36(28-11-4-3-5-12-28)18-16-34-32(38)40-20-19-39-30-14-8-10-25-9-6-7-13-29(25)30;/h3-14,21-24H,15-20H2,1-2H3;1H