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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]butyramide Formula: C23H30N3OS2+ MolecularWeight: 428.6338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)CCCC2=NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C23H29N3OS2/c1-17-11-13-26(14-12-17)19(21-8-5-15-28-21)16-24-22(27)9-4-10-23-25-18-6-2-3-7-20(18)29-23/h2-3,5-8,15,17,19H,4,9-14,16H2,1H3,(H,24,27)/p+1/t19-/m1/s1