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

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H25N3O3S/c1-27-18-10-9-16(12-19(18)28-2)23-21(26)14-25-11-5-6-15(13-25)22-24-17-7-3-4-8-20(17)29-22/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3,(H,23,26)/p+1/t15-/m1/s1