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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3,5-dimethylisoxazol-4-yl)propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3,5-dimethylisoxazol-4-yl)propan-1-one Formula: C20H25N4O2S+ MolecularWeight: 385.5031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c1-14-16(15(2)26-22-14)7-8-20(25)24-11-9-23(10-12-24)13-19-21-17-5-3-4-6-18(17)27-19/h3-6H,7-13H2,1-2H3/p+1