2-[2-[3-bromanyl-5-(4-oxidanylidene-4-phenylazanyl-butyl)pyridin-1-ium-1-yl]ethoxycarbonylamino]propyl N-naphthalen-1-ylcarbamate chloride

Systemtic Name: 2-[2-[3-bromanyl-5-(4-oxidanylidene-4-phenylazanyl-butyl)pyridin-1-ium-1-yl]ethoxycarbonylamino]propyl N-naphthalen-1-ylcarbamate chloride Openeye Name: 2-[3-(4-anilino-4-oxo-butyl)-5-bromo-pyridin-1-ium-1-yl]ethyl N-[1-methyl-2-(1-naphthylcarbamoyloxy)ethyl]carbamate chloride CAS Name: N-(1-naphthalenyl)carbamic acid 2-[[2-[3-(4-anilino-4-oxobutyl)-5-bromo-1-pyridin-1-iumyl]ethoxy-oxomethyl]amino]propyl ester chloride IUPAC Name: 2-[2-[3-(4-anilino-4-oxobutyl)-5-bromopyridin-1-ium-1-yl]ethoxycarbonylamino]propyl N-naphthalen-1-ylcarbamate chloride Traditional Name: N-[1-methyl-2-(1-naphthylcarbamoyloxy)ethyl]carbamic acid 2-[3-(4-anilino-4-keto-butyl)-5-bromo-pyridin-1-ium-1-yl]ethyl ester chloride Formula: C32H34BrClN4O5 MolecularWeight: 669.99316

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)NC1=CC=CC2=CC=CC=C21)NC(=O)OCC[N+]3=CC(=CC(=C3)Br)CCCC(=O)NC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC(COC(=O)NC1=CC=CC2=CC=CC=C21)NC(=O)OCC[N+]3=CC(=CC(=C3)Br)CCCC(=O)NC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C32H33BrN4O5.ClH/c1-23(22-42-32(40)36-29-15-8-11-25-10-5-6-14-28(25)29)34-31(39)41-18-17-37-20-24(19-26(33)21-37)9-7-16-30(38)35-27-12-3-2-4-13-27;/h2-6,8,10-15,19-21,23H,7,9,16-18,22H2,1H3,(H2-,34,35,36,38,39,40);1H