6-(2-methylpropoxy)-2-piperidin-1-ium-4-yl-1,3-benzothiazole

Systemtic Name: 6-(2-methylpropoxy)-2-piperidin-1-ium-4-yl-1,3-benzothiazole Openeye Name: 6-isobutoxy-2-piperidin-1-ium-4-yl-1,3-benzothiazole CAS Name: 6-(2-methylpropoxy)-2-(4-piperidin-1-iumyl)-1,3-benzothiazole IUPAC Name: 6-(2-methylpropoxy)-2-piperidin-1-ium-4-yl-1,3-benzothiazole Traditional Name: 6-isobutoxy-2-piperidin-1-ium-4-yl-1,3-benzothiazole Formula: C16H23N2OS+ MolecularWeight: 291.43162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC2=C(C=C1)N=C(S2)C3CC[NH2+]CC3

Isomeric SMILES

CC(C)COC1=CC2=C(C=C1)N=C(S2)C3CC[NH2+]CC3

InChI

InChI=1S/C16H22N2OS/c1-11(2)10-19-13-3-4-14-15(9-13)20-16(18-14)12-5-7-17-8-6-12/h3-4,9,11-12,17H,5-8,10H2,1-2H3/p+1