1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-1-piperazin-4-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)isonipecotamide Formula: C18H26N5O3S+ MolecularWeight: 392.49574

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H25N5O3S/c1-21-10-12-23(13-11-21)19-18(24)14-6-8-22(9-7-14)17-15-4-2-3-5-16(15)27(25,26)20-17/h2-5,14H,6-13H2,1H3,(H,19,24)/p+1