2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H22N5O2S+ MolecularWeight: 372.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H21N5O2S/c1-13-10-16(21-25-13)20-17(24)11-22-6-8-23(9-7-22)12-18-19-14-4-2-3-5-15(14)26-18/h2-5,10H,6-9,11-12H2,1H3,(H,20,21,24)/p+1