2-(1,3-benzothiazol-2-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)pyridine-3-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)pyridine-3-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)pyridine-3-carboxamide CAS Name: 2-(1,3-benzothiazol-2-yl)-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-pyridinecarboxamide IUPAC Name: 2-(1,3-benzothiazol-2-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)pyridine-3-carboxamide Traditional Name: 2-(1,3-benzothiazol-2-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)nicotinamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4OS/c1-23-12-9-14(10-13-23)24(2)20(25)15-6-5-11-21-18(15)19-22-16-7-3-4-8-17(16)26-19/h3-8,11,14H,9-10,12-13H2,1-2H3/p+1