(2S)-2-methyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: (2S)-2-methyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: (2S)-2-methyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one CAS Name: (2S)-2-methyl-6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-4H-1,4-benzothiazin-3-one IUPAC Name: (2S)-2-methyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one Traditional Name: (2S)-2-methyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H20N4O2S/c1-13-18(24)21-15-12-14(5-6-16(15)26-13)19(25)23-10-8-22(9-11-23)17-4-2-3-7-20-17/h2-7,12-13H,8-11H2,1H3,(H,21,24)/p+1/t13-/m0/s1