3-[(2Z)-2-[(1-methyl-3H-indol-1-ium-2-yl)methylidene]-3H-indol-1-yl]butan-2-one

Systemtic Name: 3-[(2Z)-2-[(1-methyl-3H-indol-1-ium-2-yl)methylidene]-3H-indol-1-yl]butan-2-one Openeye Name: 3-[(2Z)-2-[(1-methyl-3H-indol-1-ium-2-yl)methylene]indolin-1-yl]butan-2-one CAS Name: 3-[(2Z)-2-[(1-methyl-3H-indol-1-ium-2-yl)methylidene]-3H-indol-1-yl]-2-butanone IUPAC Name: 3-[(2Z)-2-[(1-methyl-3H-indol-1-ium-2-yl)methylidene]-3H-indol-1-yl]butan-2-one Traditional Name: 3-[(2Z)-2-[(1-methyl-3H-indol-1-ium-2-yl)methylene]indolin-1-yl]butan-2-one Formula: C22H23N2O+ MolecularWeight: 331.43082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C(=CC2=[N+](C3=CC=CC=C3C2)C)CC4=CC=CC=C41

Isomeric SMILES

CC(C(=O)C)N1/C(=C\C2=[N+](C3=CC=CC=C3C2)C)/CC4=CC=CC=C41

InChI

InChI=1S/C22H23N2O/c1-15(16(2)25)24-20(13-18-9-5-7-11-22(18)24)14-19-12-17-8-4-6-10-21(17)23(19)3/h4-11,14-15H,12-13H2,1-3H3/q+1