[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethylisoxazol-4-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(3,5-dimethyl-4-isoxazolyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethylisoxazol-4-yl)methanone Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c1-12-17(13(2)24-20-12)18(23)22-9-7-21(8-10-22)11-16-19-14-5-3-4-6-15(14)25-16/h3-6H,7-11H2,1-2H3/p+1