2-[3-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]propanoylamino]ethyl 2,3-dihydroindole-1-carboxylate

Systemtic Name: 2-[3-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]propanoylamino]ethyl 2,3-dihydroindole-1-carboxylate Openeye Name: 2-[3-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl indoline-1-carboxylate CAS Name: 2,3-dihydroindole-1-carboxylic acid 2-[[3-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)-1-oxopropyl]amino]ethyl ester IUPAC Name: 2-[3-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl 2,3-dihydroindole-1-carboxylate Traditional Name: indoline-1-carboxylic acid 2-[3-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl ester Formula: C29H32BrN4O4+ MolecularWeight: 580.49278

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCC(=O)NCCOC(=O)N2CCC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCC(=O)NCCOC(=O)N2CCC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C29H31BrN4O4/c1-2-15-32-20-23(19-24(30)21-32)28(36)33(25-9-4-3-5-10-25)17-13-27(35)31-14-18-38-29(37)34-16-12-22-8-6-7-11-26(22)34/h3-11,19-21H,2,12-18H2,1H3/p+1