N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Systemtic Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: 4-[(isopropylcarbamoylamino)methyl]-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzamide IUPAC Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: 4-[(isopropylcarbamoylamino)methyl]-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C24H35N4O2S+ MolecularWeight: 443.6253

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C)C3=CC=CS3

InChI

InChI=1S/C24H34N4O2S/c1-17(2)27-24(30)26-15-19-6-8-20(9-7-19)23(29)25-16-21(22-5-4-14-31-22)28-12-10-18(3)11-13-28/h4-9,14,17-18,21H,10-13,15-16H2,1-3H3,(H,25,29)(H2,26,27,30)/p+1/t21-/m0/s1