(2Z)-1-butyl-2-[(1-butyl-3,3-dimethyl-indol-1-ium-2-yl)methylidene]-3,3-dimethyl-indole

Systemtic Name: (2Z)-1-butyl-2-[(1-butyl-3,3-dimethyl-indol-1-ium-2-yl)methylidene]-3,3-dimethyl-indole Openeye Name: 1-butyl-2-[(Z)-(1-butyl-3,3-dimethyl-indolin-2-ylidene)methyl]-3,3-dimethyl-indol-1-ium CAS Name: (2Z)-1-butyl-2-[(1-butyl-3,3-dimethyl-2-indol-1-iumyl)methylidene]-3,3-dimethylindole IUPAC Name: (2Z)-1-butyl-2-[(1-butyl-3,3-dimethylindol-1-ium-2-yl)methylidene]-3,3-dimethylindole Traditional Name: 1-butyl-2-[(Z)-(1-butyl-3,3-dimethyl-indolin-2-ylidene)methyl]-3,3-dimethyl-indol-1-ium Formula: C29H39N2+ MolecularWeight: 415.63336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(C1=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCC)(C)C

Isomeric SMILES

CCCCN\1C2=CC=CC=C2C(/C1=C/C3=[N+](C4=CC=CC=C4C3(C)C)CCCC)(C)C

InChI

InChI=1S/C29H39N2/c1-7-9-19-30-24-17-13-11-15-22(24)28(3,4)26(30)21-27-29(5,6)23-16-12-14-18-25(23)31(27)20-10-8-2/h11-18,21H,7-10,19-20H2,1-6H3/q+1