3-(4-bromophenyl)imino-1-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]indol-2-one

Systemtic Name: 3-(4-bromophenyl)imino-1-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]indol-2-one Openeye Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-3-(4-bromophenyl)imino-indolin-2-one CAS Name: 3-(4-bromophenyl)imino-1-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-3-(4-bromophenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-3-(4-bromophenyl)imino-oxindole Formula: C26H26BrN4O+ MolecularWeight: 490.41484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=NC5=CC=C(C=C5)Br)C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=NC5=CC=C(C=C5)Br)C3=O

InChI

InChI=1S/C26H25BrN4O/c27-21-10-12-22(13-11-21)28-25-23-8-4-5-9-24(23)31(26(25)32)19-30-16-14-29(15-17-30)18-20-6-2-1-3-7-20/h1-13H,14-19H2/p+1