2-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C19H21N4O2S2+ MolecularWeight: 401.52564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C19H20N4O2S2/c20-17(25)12-8-10-26-18(12)22-16(24)11-23-9-4-3-6-14(23)19-21-13-5-1-2-7-15(13)27-19/h1-2,5,7-8,10,14H,3-4,6,9,11H2,(H2,20,25)(H,22,24)/p+1/t14-/m1/s1