2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonylamino]ethyl N-butyl-N-(2-naphthalen-1-yloxyethyl)carbamate iodide

Systemtic Name: 2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonylamino]ethyl N-butyl-N-(2-naphthalen-1-yloxyethyl)carbamate iodide Openeye Name: 2-[(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)amino]ethyl N-butyl-N-[2-(1-naphthyloxy)ethyl]carbamate iodide CAS Name: N-butyl-N-[2-(1-naphthalenyloxy)ethyl]carbamic acid 2-[[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester iodide IUPAC Name: 2-[(5-bromo-1-propylpyridin-1-ium-3-carbonyl)amino]ethyl N-butyl-N-(2-naphthalen-1-yloxyethyl)carbamate iodide Traditional Name: N-butyl-N-[2-(1-naphthoxy)ethyl]carbamic acid 2-[(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)amino]ethyl ester iodide Formula: C28H35BrIN3O4 MolecularWeight: 684.40367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCOC1=CC=CC2=CC=CC=C21)C(=O)OCCNC(=O)C3=CC(=C[N+](=C3)CCC)Br.[I-]

Isomeric SMILES

CCCCN(CCOC1=CC=CC2=CC=CC=C21)C(=O)OCCNC(=O)C3=CC(=C[N+](=C3)CCC)Br.[I-]

InChI

InChI=1S/C28H34BrN3O4.HI/c1-3-5-15-32(16-18-35-26-12-8-10-22-9-6-7-11-25(22)26)28(34)36-17-13-30-27(33)23-19-24(29)21-31(20-23)14-4-2;/h6-12,19-21H,3-5,13-18H2,1-2H3;1H