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

Systemtic Name: 2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl N-(4-hexylphenyl)carbamate Openeye Name: 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl N-(4-hexylphenyl)carbamate CAS Name: N-[2-[(4-hexylanilino)-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-hexylphenyl)carbamate Traditional Name: N-(4-hexylphenyl)carbamic acid 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl ester Formula: C33H42BrN4O5+ MolecularWeight: 654.61438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC(=O)OCCNC(=O)OCCN(C2=CC=CC=C2)C(=O)C3=CC(=C[N+](=C3)CCC)Br

Isomeric SMILES

CCCCCCC1=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/C33H41BrN4O5/c1-3-5-6-8-11-26-14-16-29(17-15-26)36-33(41)42-21-18-35-32(40)43-22-20-38(30-12-9-7-10-13-30)31(39)27-23-28(34)25-37(24-27)19-4-2/h7,9-10,12-17,23-25H,3-6,8,11,18-22H2,1-2H3,(H-,35,36,40,41)/p+1