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

Systemtic Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-N-methyl-ethanamide Openeye Name: 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-methyl-acetamide CAS Name: 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-methylacetamide IUPAC Name: 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-methylacetamide Traditional Name: 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-methyl-acetamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)C[NH+]1CCCC(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=O)CNC(=O)C[NH+]1CCC[C@H](C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H22N4O2S/c1-18-15(22)9-19-16(23)11-21-8-4-5-12(10-21)17-20-13-6-2-3-7-14(13)24-17/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,22)(H,19,23)/p+1/t12-/m1/s1