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

Systemtic Name: 2-[1-[3-(2,6-dimethoxyphenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[3-(2,6-dimethoxyphenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[3-(2,6-dimethoxyphenoxy)propyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[3-(2,6-dimethoxyphenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[3-(2,6-dimethoxyphenoxy)propyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c1-26-19-8-5-9-20(27-2)22(19)28-16-6-13-25-14-11-17(12-15-25)23-24-18-7-3-4-10-21(18)29-23/h3-5,7-10,17H,6,11-16H2,1-2H3/p+1