N-(4-acetamidophenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O2S/c1-15(27)23-17-8-10-18(11-9-17)24-21(28)14-26-12-4-5-16(13-26)22-25-19-6-2-3-7-20(19)29-22/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,23,27)(H,24,28)/p+1/t16-/m1/s1