1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-[(2S)-2-methylindolin-1-yl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-[(2S)-2-methylindolin-1-yl]-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]ethanone Formula: C24H27N4O2S+ MolecularWeight: 435.56178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CSC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

InChI

InChI=1S/C24H26N4O2S/c1-17-14-18-6-2-5-9-21(18)28(17)23(29)16-31-24-19-7-3-4-8-20(19)25-22(26-24)15-27-10-12-30-13-11-27/h2-9,17H,10-16H2,1H3/p+1/t17-/m0/s1