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

Systemtic Name: 2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonylamino]ethyl N-ethyl-N-(2-naphthalen-1-yloxyethyl)carbamate iodide Openeye Name: 2-[(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)amino]ethyl N-ethyl-N-[2-(1-naphthyloxy)ethyl]carbamate iodide CAS Name: N-ethyl-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-ethyl-N-(2-naphthalen-1-yloxyethyl)carbamate iodide Traditional Name: N-ethyl-N-[2-(1-naphthoxy)ethyl]carbamic acid 2-[(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)amino]ethyl ester iodide Formula: C26H31BrIN3O4 MolecularWeight: 656.35051

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)NCCOC(=O)N(CC)CCOC2=CC=CC3=CC=CC=C32.[I-]

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)NCCOC(=O)N(CC)CCOC2=CC=CC3=CC=CC=C32.[I-]

InChI

InChI=1S/C26H30BrN3O4.HI/c1-3-13-29-18-21(17-22(27)19-29)25(31)28-12-15-34-26(32)30(4-2)14-16-33-24-11-7-9-20-8-5-6-10-23(20)24;/h5-11,17-19H,3-4,12-16H2,1-2H3;1H