2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl N-(4-hexoxyphenyl)carbamate

Systemtic Name: 2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl N-(4-hexoxyphenyl)carbamate Openeye Name: 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl N-(4-hexoxyphenyl)carbamate CAS Name: N-[2-[(4-hexoxyanilino)-oxomethoxy]ethyl]carbamic acid 2-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethyl ester IUPAC Name: 2-[2-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl N-(4-hexoxyphenyl)carbamate Traditional Name: N-(4-hexoxyphenyl)carbamic acid 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl ester Formula: C33H42BrN4O6+ MolecularWeight: 670.61378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=O)OCCNC(=O)OCCN(C2=CC=CC=C2)C(=O)C3=CC(=C[N+](=C3)CCC)Br

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=O)OCCNC(=O)OCCN(C2=CC=CC=C2)C(=O)C3=CC(=C[N+](=C3)CCC)Br

InChI

InChI=1S/C33H41BrN4O6/c1-3-5-6-10-20-42-30-15-13-28(14-16-30)36-33(41)43-21-17-35-32(40)44-22-19-38(29-11-8-7-9-12-29)31(39)26-23-27(34)25-37(24-26)18-4-2/h7-9,11-16,23-25H,3-6,10,17-22H2,1-2H3,(H-,35,36,40,41)/p+1