(3R)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

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