(3E)-3-[[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]methylidene]-1H-indol-2-one

Systemtic Name: (3E)-3-[[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]methylidene]-1H-indol-2-one Openeye Name: (3E)-3-[[2-(4-benzylpiperazin-4-ium-1-yl)phenyl]methylene]indolin-2-one CAS Name: (3E)-3-[[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]methylidene]-1H-indol-2-one IUPAC Name: (3E)-3-[[2-(4-benzylpiperazin-4-ium-1-yl)phenyl]methylidene]-1H-indol-2-one Traditional Name: (3E)-3-[2-(4-benzylpiperazin-4-ium-1-yl)benzylidene]oxindole Formula: C26H26N3O+ MolecularWeight: 396.50414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC=C3C=C4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC=C3/C=C/4\C5=CC=CC=C5NC4=O

InChI

InChI=1S/C26H25N3O/c30-26-23(22-11-5-6-12-24(22)27-26)18-21-10-4-7-13-25(21)29-16-14-28(15-17-29)19-20-8-2-1-3-9-20/h1-13,18H,14-17,19H2,(H,27,30)/p+1/b23-18+