2-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[2-(2-isopropoxyphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[2-(2-isopropoxyphenoxy)ethyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1OCC[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)OC1=CC=CC=C1OCC[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H28N2O2S/c1-17(2)27-21-9-5-4-8-20(21)26-16-15-25-13-11-18(12-14-25)23-24-19-7-3-6-10-22(19)28-23/h3-10,17-18H,11-16H2,1-2H3/p+1