2-[2-(3-butyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)ethenylidene]-3-methyl-1,3-benzoxazole

Systemtic Name: 2-[2-(3-butyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)ethenylidene]-3-methyl-1,3-benzoxazole Openeye Name: 2-[2-(3-butyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)ethenylidene]-3-methyl-1,3-benzoxazole CAS Name: 2-[2-(3-butyl-1,1-dimethyl-2-benzo[e]indol-3-iumyl)ethenylidene]-3-methyl-1,3-benzoxazole IUPAC Name: 2-[2-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenylidene]-3-methyl-1,3-benzoxazole Traditional Name: 2-[2-(3-butyl-1,1-dimethyl-benz[e]indol-3-ium-2-yl)ethenylidene]-3-methyl-1,3-benzoxazole Formula: C28H29N2O+ MolecularWeight: 409.54266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C=C=C4N(C5=CC=CC=C5O4)C

Isomeric SMILES

CCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C=C=C4N(C5=CC=CC=C5O4)C

InChI

InChI=1S/C28H29N2O/c1-5-6-19-30-23-16-15-20-11-7-8-12-21(20)27(23)28(2,3)25(30)17-18-26-29(4)22-13-9-10-14-24(22)31-26/h7-17H,5-6,19H2,1-4H3/q+1