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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H25N3OS/c1-15-7-8-18(13-16(15)2)23-21(26)14-25-11-9-17(10-12-25)22-24-19-5-3-4-6-20(19)27-22/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,26)/p+1