2-[2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C19H20ClN4O2S2+ MolecularWeight: 435.9707

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=C(S2)C=CC(=C3)Cl)CC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=C(S2)C=CC(=C3)Cl)CC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C19H19ClN4O2S2/c20-12-1-2-15-14(9-12)22-18(28-15)11-3-6-24(7-4-11)10-16(25)23-19-13(17(21)26)5-8-27-19/h1-2,5,8-9,11H,3-4,6-7,10H2,(H2,21,26)(H,23,25)/p+1