(4E)-2-azanyl-3-methyl-4-[[1-(phenylmethyl)indol-3-yl]methylidene]-1H-imidazol-3-ium-5-one

Systemtic Name: (4E)-2-azanyl-3-methyl-4-[[1-(phenylmethyl)indol-3-yl]methylidene]-1H-imidazol-3-ium-5-one Openeye Name: (4E)-2-amino-4-[(1-benzylindol-3-yl)methylene]-3-methyl-1H-imidazol-3-ium-5-one CAS Name: (4E)-2-amino-3-methyl-4-[[1-(phenylmethyl)-3-indolyl]methylidene]-1H-imidazol-3-ium-5-one IUPAC Name: (4E)-2-amino-4-[(1-benzylindol-3-yl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Traditional Name: (5E)-2-amino-5-[(1-benzylindol-3-yl)methylene]-1-methyl-2-imidazolin-1-ium-4-one Formula: C20H19N4O+ MolecularWeight: 331.39106

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC(=O)C1=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)N

Isomeric SMILES

C[N+]\1=C(NC(=O)/C1=C\C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)N

InChI

InChI=1S/C20H18N4O/c1-23-18(19(25)22-20(23)21)11-15-13-24(12-14-7-3-2-4-8-14)17-10-6-5-9-16(15)17/h2-11,13H,12H2,1H3,(H2,21,22,25)/p+1/b18-11+