2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(4-dimethylaminophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-methylacetamide Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[4-(dimethylamino)benzyl]-N-methyl-acetamide Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-26(2)20-12-10-18(11-13-20)15-27(3)23(29)17-28-14-6-7-19(16-28)24-25-21-8-4-5-9-22(21)30-24/h4-5,8-13,19H,6-7,14-17H2,1-3H3/p+1/t19-/m1/s1