6-(3,5-dimethylpiperidin-1-yl)carbonyl-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-(3,5-dimethylpiperidin-1-yl)carbonyl-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazin-3-one Openeye Name: 6-(3,5-dimethylpiperidine-1-carbonyl)-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazin-3-one CAS Name: 6-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-2-(1-piperidin-1-iumyl)-4H-1,4-benzothiazin-3-one IUPAC Name: 6-(3,5-dimethylpiperidine-1-carbonyl)-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazin-3-one Traditional Name: 6-(3,5-dimethylpiperidine-1-carbonyl)-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazin-3-one Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4)C

InChI

InChI=1S/C21H29N3O2S/c1-14-10-15(2)13-24(12-14)20(26)16-6-7-18-17(11-16)22-19(25)21(27-18)23-8-4-3-5-9-23/h6-7,11,14-15,21H,3-5,8-10,12-13H2,1-2H3,(H,22,25)/p+1