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

Systemtic Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[(2R)-2-(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=C(C=C1)NC(=O)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O2S/c1-23-21(28)15-9-11-16(12-10-15)24-20(27)14-26-13-5-4-7-18(26)22-25-17-6-2-3-8-19(17)29-22/h2-3,6,8-12,18H,4-5,7,13-14H2,1H3,(H,23,28)(H,24,27)/p+1/t18-/m1/s1