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

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-[methyl(2-thienylsulfonyl)amino]butanamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Traditional Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-[methyl(2-thienylsulfonyl)amino]butyramide Formula: C21H32N3O3S3+ MolecularWeight: 470.69208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CCCN(C)S(=O)(=O)C2=CC=CS2)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)CCCN(C)S(=O)(=O)C2=CC=CS2)C3=CC=CS3

InChI

InChI=1S/C21H31N3O3S3/c1-17-9-12-24(13-10-17)18(19-6-4-14-28-19)16-22-20(25)7-3-11-23(2)30(26,27)21-8-5-15-29-21/h4-6,8,14-15,17-18H,3,7,9-13,16H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1