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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(2,4-dimethylanilino)-oxomethyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-15-7-8-18(16(2)13-15)25-23(29)26-21(28)14-27-11-9-17(10-12-27)22-24-19-5-3-4-6-20(19)30-22/h3-8,13,17H,9-12,14H2,1-2H3,(H2,25,26,28,29)/p+1