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

Systemtic Name: 2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonylamino]ethyl N-(2-naphthalen-1-yloxyethyl)-N-(phenylmethyl)carbamate iodide Openeye Name: 2-[(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)amino]ethyl N-benzyl-N-[2-(1-naphthyloxy)ethyl]carbamate iodide CAS Name: N-[2-(1-naphthalenyloxy)ethyl]-N-(phenylmethyl)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-benzyl-N-(2-naphthalen-1-yloxyethyl)carbamate iodide Traditional Name: N-benzyl-N-[2-(1-naphthoxy)ethyl]carbamic acid 2-[(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)amino]ethyl ester iodide Formula: C31H33BrIN3O4 MolecularWeight: 718.41989

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)NCCOC(=O)N(CCOC2=CC=CC3=CC=CC=C32)CC4=CC=CC=C4.[I-]

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)NCCOC(=O)N(CCOC2=CC=CC3=CC=CC=C32)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C31H32BrN3O4.HI/c1-2-16-34-22-26(20-27(32)23-34)30(36)33-15-18-39-31(37)35(21-24-9-4-3-5-10-24)17-19-38-29-14-8-12-25-11-6-7-13-28(25)29;/h3-14,20,22-23H,2,15-19,21H2,1H3;1H