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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H22N4O2S/c1-14-12-15(21-25-14)13-22-8-10-23(11-9-22)19(24)7-6-18-20-16-4-2-3-5-17(16)26-18/h2-5,12H,6-11,13H2,1H3/p+1