4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H22N4O2S/c22-20(27)14-8-10-15(11-9-14)23-19(26)13-25-12-4-3-6-17(25)21-24-16-5-1-2-7-18(16)28-21/h1-2,5,7-11,17H,3-4,6,12-13H2,(H2,22,27)(H,23,26)/p+1/t17-/m1/s1