2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl N-dodecan-2-ylcarbamate chloride

Systemtic Name: 2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl N-dodecan-2-ylcarbamate chloride Openeye Name: 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl N-(1-methylundecyl)carbamate chloride CAS Name: N-dodecan-2-ylcarbamic acid 2-[[2-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethoxy-oxomethyl]amino]ethyl ester chloride IUPAC Name: 2-[2-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl N-dodecan-2-ylcarbamate chloride Traditional Name: N-(1-methylundecyl)carbamic acid 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl ester chloride Formula: C33H50BrClN4O5 MolecularWeight: 698.1309

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)NC(=O)OCCNC(=O)OCCN(C1=CC=CC=C1)C(=O)C2=CC(=C[N+](=C2)CCC)Br.[Cl-]

Isomeric SMILES

CCCCCCCCCCC(C)NC(=O)OCCNC(=O)OCCN(C1=CC=CC=C1)C(=O)C2=CC(=C[N+](=C2)CCC)Br.[Cl-]

InChI

InChI=1S/C33H49BrN4O5.ClH/c1-4-6-7-8-9-10-11-13-16-27(3)36-33(41)42-22-19-35-32(40)43-23-21-38(30-17-14-12-15-18-30)31(39)28-24-29(34)26-37(25-28)20-5-2;/h12,14-15,17-18,24-27H,4-11,13,16,19-23H2,1-3H3,(H-,35,36,40,41);1H