N-[(2S)-1-oxidanylidene-1-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-oxo-1-[[2-(1-piperidin-1-iumylmethyl)phenyl]methylamino]propan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-oxo-1-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[[2-(piperidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]thiophene-2-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1C[NH+]2CCCCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1C[NH+]2CCCCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-16(23-21(26)19-10-7-13-27-19)20(25)22-14-17-8-3-4-9-18(17)15-24-11-5-2-6-12-24/h3-4,7-10,13,16H,2,5-6,11-12,14-15H2,1H3,(H,22,25)(H,23,26)/p+1/t16-/m0/s1