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

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S/c1-26-18-10-4-2-8-16(18)22-20(25)14-24-12-6-7-15(13-24)21-23-17-9-3-5-11-19(17)27-21/h2-5,8-11,15H,6-7,12-14H2,1H3,(H,22,25)/p+1/t15-/m1/s1