1-[5-(1-ethyl-2,3,3-trimethyl-indol-1-ium-5-yl)-2,3-dihydro-1H-indol-1-ium-1-yl]ethanone

Systemtic Name: 1-[5-(1-ethyl-2,3,3-trimethyl-indol-1-ium-5-yl)-2,3-dihydro-1H-indol-1-ium-1-yl]ethanone Openeye Name: 1-[5-(1-ethyl-2,3,3-trimethyl-indol-1-ium-5-yl)indolin-1-ium-1-yl]ethanone CAS Name: 1-[5-(1-ethyl-2,3,3-trimethyl-5-indol-1-iumyl)-2,3-dihydro-1H-indol-1-ium-1-yl]ethanone IUPAC Name: 1-[5-(1-ethyl-2,3,3-trimethylindol-1-ium-5-yl)-2,3-dihydro-1H-indol-1-ium-1-yl]ethanone Traditional Name: 1-[5-(1-ethyl-2,3,3-trimethyl-indol-1-ium-5-yl)indolin-1-ium-1-yl]ethanone Formula: C23H28N2O+2 MolecularWeight: 348.48122

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC(=C2)C3=CC4=C(C=C3)[NH+](CC4)C(=O)C)(C)C)C

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC(=C2)C3=CC4=C(C=C3)[NH+](CC4)C(=O)C)(C)C)C

InChI

InChI=1S/C23H27N2O/c1-6-24-15(2)23(4,5)20-14-18(8-10-22(20)24)17-7-9-21-19(13-17)11-12-25(21)16(3)26/h7-10,13-14H,6,11-12H2,1-5H3/q+1/p+1