3-[5-bromanyl-3-(2-pyrrolidin-1-ium-1-ylethoxyamino)-1H-indol-2-yl]indol-2-one chloride

Systemtic Name: 3-[5-bromanyl-3-(2-pyrrolidin-1-ium-1-ylethoxyamino)-1H-indol-2-yl]indol-2-one chloride Openeye Name: 3-[5-bromo-3-(2-pyrrolidin-1-ium-1-ylethoxyamino)-1H-indol-2-yl]indol-2-one chloride CAS Name: 3-[5-bromo-3-[2-(1-pyrrolidin-1-iumyl)ethoxyamino]-1H-indol-2-yl]-2-indolone chloride IUPAC Name: 3-[5-bromo-3-(2-pyrrolidin-1-ium-1-ylethoxyamino)-1H-indol-2-yl]indol-2-one chloride Traditional Name: 3-[5-bromo-3-(2-pyrrolidin-1-ium-1-ylethoxyamino)-1H-indol-2-yl]indol-2-one chloride Formula: C22H22BrClN4O2 MolecularWeight: 489.79268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCONC2=C(NC3=C2C=C(C=C3)Br)C4=C5C=CC=CC5=NC4=O.[Cl-]

Isomeric SMILES

C1CC[NH+](C1)CCONC2=C(NC3=C2C=C(C=C3)Br)C4=C5C=CC=CC5=NC4=O.[Cl-]

InChI

InChI=1S/C22H21BrN4O2.ClH/c23-14-7-8-18-16(13-14)20(26-29-12-11-27-9-3-4-10-27)21(24-18)19-15-5-1-2-6-17(15)25-22(19)28;/h1-2,5-8,13,24,26H,3-4,9-12H2;1H