4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3,5-dimethyl-isoxazole Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H21N3OS/c1-12-15(13(2)22-20-12)11-21-9-7-14(8-10-21)18-19-16-5-3-4-6-17(16)23-18/h3-6,14H,7-11H2,1-2H3/p+1