2-[(2S)-6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ethanamide

Systemtic Name: 2-[(2S)-6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ethanamide Openeye Name: 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide CAS Name: 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide Traditional Name: 2-[(2S)-6-chloro-3-keto-4H-1,4-benzothiazin-2-yl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide Formula: C19H27ClN3O2S+ MolecularWeight: 396.95458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)C[C@H]2C(=O)NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C19H26ClN3O2S/c1-13-5-9-23(10-6-13)8-2-7-21-18(24)12-17-19(25)22-15-11-14(20)3-4-16(15)26-17/h3-4,11,13,17H,2,5-10,12H2,1H3,(H,21,24)(H,22,25)/p+1/t17-/m0/s1