3-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole

Systemtic Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-methylisoxazole IUPAC Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-isoxazole Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H19N3OS/c1-12-10-13(19-21-12)11-20-9-5-4-7-15(20)17-18-14-6-2-3-8-16(14)22-17/h2-3,6,8,10,15H,4-5,7,9,11H2,1H3/p+1/t15-/m0/s1