2-[(2R)-1-[2-(4-methoxyphenoxy)ethyl]piperidin-1-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2R)-1-[2-(4-methoxyphenoxy)ethyl]piperidin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-[2-(4-methoxyphenoxy)ethyl]piperidin-1-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-[2-(4-methoxyphenoxy)ethyl]piperidin-1-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-[2-(4-methoxyphenoxy)ethyl]piperidin-1-ium-2-yl]-1,3-benzothiazole Formula: C21H25N2O2S+ MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N2O2S/c1-24-16-9-11-17(12-10-16)25-15-14-23-13-5-4-7-19(23)21-22-18-6-2-3-8-20(18)26-21/h2-3,6,8-12,19H,4-5,7,13-15H2,1H3/p+1/t19-/m1/s1