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

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-[(4-dimethylaminophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-methylacetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-[4-(dimethylamino)benzyl]-N-methyl-acetamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-25(2)18-12-10-17(11-13-18)15-26(3)22(28)16-27-14-6-8-20(27)23-24-19-7-4-5-9-21(19)29-23/h4-5,7,9-13,20H,6,8,14-16H2,1-3H3/p+1/t20-/m1/s1