2-[3-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]propanoylamino]ethyl 3,4-dihydro-2H-quinoline-1-carboxylate chloride

Systemtic Name: 2-[3-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]propanoylamino]ethyl 3,4-dihydro-2H-quinoline-1-carboxylate chloride Openeye Name: 2-[3-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl 3,4-dihydro-2H-quinoline-1-carboxylate chloride CAS Name: 3,4-dihydro-2H-quinoline-1-carboxylic acid 2-[[3-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)-1-oxopropyl]amino]ethyl ester chloride IUPAC Name: 2-[3-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl 3,4-dihydro-2H-quinoline-1-carboxylate chloride Traditional Name: 3,4-dihydro-2H-quinoline-1-carboxylic acid 2-[3-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl ester chloride Formula: C30H34BrClN4O4 MolecularWeight: 629.97236

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCC(=O)NCCOC(=O)N2CCCC3=CC=CC=C32)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCC(=O)NCCOC(=O)N2CCCC3=CC=CC=C32)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C30H33BrN4O4.ClH/c1-2-16-33-21-24(20-25(31)22-33)29(37)34(26-11-4-3-5-12-26)18-14-28(36)32-15-19-39-30(38)35-17-8-10-23-9-6-7-13-27(23)35;/h3-7,9,11-13,20-22H,2,8,10,14-19H2,1H3;1H