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

Systemtic Name: 2-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[(3S)-3-(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(C[NH+](C1)CC(=O)NC2=C(C=CS2)C(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=C(C=CS2)C(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N4O2S2/c20-17(25)13-7-9-26-19(13)22-16(24)11-23-8-3-4-12(10-23)18-21-14-5-1-2-6-15(14)27-18/h1-2,5-7,9,12H,3-4,8,10-11H2,(H2,20,25)(H,22,24)/p+1/t12-/m0/s1