2-[(2R)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2R)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-[(2,5-dimethoxyphenyl)methyl]-2-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-(2,5-dimethoxybenzyl)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)OC)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-24-16-10-11-19(25-2)15(13-16)14-23-12-6-5-8-18(23)21-22-17-7-3-4-9-20(17)26-21/h3-4,7,9-11,13,18H,5-6,8,12,14H2,1-2H3/p+1/t18-/m1/s1