3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1-isopropylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1-propan-2-yl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(1-isopropylpiperidin-1-ium-4-yl)propionamide Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H26N4O3S/c1-13(2)22-11-8-14(9-12-22)20-17(23)7-10-19-18-15-5-3-4-6-16(15)26(24,25)21-18/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)(H,20,23)/p+1