3-[5-bromanyl-3-(2-piperazine-1,4-diium-1-ylethoxyamino)-1H-indol-2-yl]indol-2-one dichloride

Systemtic Name: 3-[5-bromanyl-3-(2-piperazine-1,4-diium-1-ylethoxyamino)-1H-indol-2-yl]indol-2-one dichloride Openeye Name: 3-[5-bromo-3-(2-piperazine-1,4-diium-1-ylethoxyamino)-1H-indol-2-yl]indol-2-one dichloride CAS Name: 3-[5-bromo-3-[2-(1-piperazine-1,4-diiumyl)ethoxyamino]-1H-indol-2-yl]-2-indolone dichloride IUPAC Name: 3-[5-bromo-3-(2-piperazine-1,4-diium-1-ylethoxyamino)-1H-indol-2-yl]indol-2-one dichloride Traditional Name: 3-[5-bromo-3-(2-piperazine-1,4-diium-1-ylethoxyamino)-1H-indol-2-yl]indol-2-one dichloride Formula: C22H24BrCl2N5O2 MolecularWeight: 541.26826

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCONC2=C(NC3=C2C=C(C=C3)Br)C4=C5C=CC=CC5=NC4=O.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCONC2=C(NC3=C2C=C(C=C3)Br)C4=C5C=CC=CC5=NC4=O.[Cl-].[Cl-]

InChI

InChI=1S/C22H22BrN5O2.2ClH/c23-14-5-6-18-16(13-14)20(27-30-12-11-28-9-7-24-8-10-28)21(25-18)19-15-3-1-2-4-17(15)26-22(19)29;;/h1-6,13,24-25,27H,7-12H2;2*1H