N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole-6-carboxamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)N=CS3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)N=CS3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-20(23-16-4-2-1-3-5-16)13-25-10-8-17(9-11-25)24-21(27)15-6-7-18-19(12-15)28-14-22-18/h1-7,12,14,17H,8-11,13H2,(H,23,26)(H,24,27)/p+1