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

Systemtic Name: 4-[[(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]amino]benzamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O2S/c1-14(21(28)24-17-8-6-15(7-9-17)20(23)27)26-12-10-16(11-13-26)22-25-18-4-2-3-5-19(18)29-22/h2-9,14,16H,10-13H2,1H3,(H2,23,27)(H,24,28)/p+1/t14-/m1/s1