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

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(5-methyl-3-isoxazolyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide Formula: C17H20N5O2S+ MolecularWeight: 358.438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H19N5O2S/c1-12-10-15(20-24-12)19-17(23)22-8-6-21(7-9-22)11-16-18-13-4-2-3-5-14(13)25-16/h2-5,10H,6-9,11H2,1H3,(H,19,20,23)/p+1