5-bromanyl-3-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]amino]indol-2-one

Systemtic Name: 5-bromanyl-3-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]amino]indol-2-one Openeye Name: 3-[(4-benzhydrylpiperazin-4-ium-1-yl)amino]-5-bromo-indol-2-one CAS Name: 5-bromo-3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]amino]-2-indolone IUPAC Name: 3-[(4-benzhydrylpiperazin-4-ium-1-yl)amino]-5-bromoindol-2-one Traditional Name: 3-[(4-benzhydrylpiperazin-4-ium-1-yl)amino]-5-bromo-indol-2-one Formula: C25H24BrN4O+ MolecularWeight: 476.38826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)NC4=C5C=C(C=CC5=NC4=O)Br

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)NC4=C5C=C(C=CC5=NC4=O)Br

InChI

InChI=1S/C25H23BrN4O/c26-20-11-12-22-21(17-20)23(25(31)27-22)28-30-15-13-29(14-16-30)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,24H,13-16H2,(H,27,28,31)/p+1