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

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

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

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