3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O2S/c1-23-21(28)16-5-4-6-17(13-16)24-20(27)14-26-11-9-15(10-12-26)22-25-18-7-2-3-8-19(18)29-22/h2-8,13,15H,9-12,14H2,1H3,(H,23,28)(H,24,27)/p+1