1-[4-isoquinolin-1-yl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-isoquinolin-1-yl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-(1-isoquinolyl)-4-(1-oxo-1,4-thiazinan-4-yl)piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-(1-isoquinolinyl)-4-(1-oxo-1,4-thiazinan-4-yl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-isoquinolin-1-yl-4-(1-oxo-1,4-thiazinan-4-yl)piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(1-isoquinolyl)-4-(1-keto-1,4-thiazinan-4-yl)piperazin-4-ium-1-yl]ethanone Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[N+](CC1)(C2=NC=CC3=CC=CC=C32)N4CCS(=O)CC4

Isomeric SMILES

CC(=O)N1CC[N+](CC1)(C2=NC=CC3=CC=CC=C32)N4CCS(=O)CC4

InChI

InChI=1S/C19H25N4O2S/c1-16(24)21-8-12-23(13-9-21,22-10-14-26(25)15-11-22)19-18-5-3-2-4-17(18)6-7-20-19/h2-7H,8-15H2,1H3/q+1