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

Systemtic Name: 2-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole CAS Name: 2-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3R)-1-(2,5-dimethoxybenzyl)piperidin-1-ium-3-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+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N2O2S/c1-24-17-9-10-19(25-2)16(12-17)14-23-11-5-6-15(13-23)21-22-18-7-3-4-8-20(18)26-21/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3/p+1/t15-/m1/s1