N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-16-7-2-3-12-24(16)13-6-11-22-20(25)17-8-4-9-18(15-17)23-21(26)19-10-5-14-27-19/h4-5,8-10,14-16H,2-3,6-7,11-13H2,1H3,(H,22,25)(H,23,26)/p+1/t16-/m0/s1