N-[4-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[oxo-[[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H23N4O2S2+ MolecularWeight: 427.56292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O2S2/c26-19(24-21-23-17(14-29-21)13-25-10-2-1-3-11-25)15-6-8-16(9-7-15)22-20(27)18-5-4-12-28-18/h4-9,12,14H,1-3,10-11,13H2,(H,22,27)(H,23,24,26)/p+1