2-[1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[2-(2,6-dimethoxyphenoxy)ethyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OCC[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OCC[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N2O3S/c1-25-18-7-5-8-19(26-2)21(18)27-15-14-24-12-10-16(11-13-24)22-23-17-6-3-4-9-20(17)28-22/h3-9,16H,10-15H2,1-2H3/p+1