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

Systemtic Name: 2-[(2Z)-2-[(1-methyl-3H-indol-1-ium-2-yl)methylidene]-3H-indol-1-yl]pentan-3-one Openeye Name: 2-[(2Z)-2-[(1-methyl-3H-indol-1-ium-2-yl)methylene]indolin-1-yl]pentan-3-one CAS Name: 2-[(2Z)-2-[(1-methyl-3H-indol-1-ium-2-yl)methylidene]-3H-indol-1-yl]-3-pentanone IUPAC Name: 2-[(2Z)-2-[(1-methyl-3H-indol-1-ium-2-yl)methylidene]-3H-indol-1-yl]pentan-3-one Traditional Name: 2-[(2Z)-2-[(1-methyl-3H-indol-1-ium-2-yl)methylene]indolin-1-yl]pentan-3-one Formula: C23H25N2O+ MolecularWeight: 345.4574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N2O/c1-4-23(26)16(2)25-20(14-18-10-6-8-12-22(18)25)15-19-13-17-9-5-7-11-21(17)24(19)3/h5-12,15-16H,4,13-14H2,1-3H3/q+1