2-[3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone Formula: C27H24N3O2S+ MolecularWeight: 454.56336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C27H24N3O2S/c1-32-20-14-12-19(13-15-20)23-17-28(26-11-6-16-29(23)26)18-27(31)30-21-7-2-4-9-24(21)33-25-10-5-3-8-22(25)30/h2-5,7-10,12-15,17H,6,11,16,18H2,1H3/q+1