(2R)-3-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(phenylcarbamoylamino)butanamide

Systemtic Name: (2R)-3-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(phenylcarbamoylamino)butanamide Openeye Name: (2R)-3-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(phenylcarbamoylamino)butanamide CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methyl-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: (2R)-3-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-(phenylcarbamoylamino)butanamide Traditional Name: (2R)-3-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(phenylcarbamoylamino)butyramide Formula: C24H35N4O2S+ MolecularWeight: 443.6253

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)[C@@H](C(C)C)NC(=O)NC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C24H34N4O2S/c1-17(2)22(27-24(30)26-19-8-5-4-6-9-19)23(29)25-16-20(21-10-7-15-31-21)28-13-11-18(3)12-14-28/h4-10,15,17-18,20,22H,11-14,16H2,1-3H3,(H,25,29)(H2,26,27,30)/p+1/t20-,22-/m1/s1