N-[5-chloranyl-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[5-chloranyl-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[5-chloro-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[5-chloro-2-[[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-chloro-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[5-chloro-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H27ClN3O2S+ MolecularWeight: 420.97598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2S/c1-15-6-2-3-11-25(15)12-5-10-23-20(26)17-9-8-16(22)14-18(17)24-21(27)19-7-4-13-28-19/h4,7-9,13-15H,2-3,5-6,10-12H2,1H3,(H,23,26)(H,24,27)/p+1/t15-/m0/s1