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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H28N4OS/c1-26(2)19-9-7-17(8-10-19)15-24-22(28)16-27-13-11-18(12-14-27)23-25-20-5-3-4-6-21(20)29-23/h3-10,18H,11-16H2,1-2H3,(H,24,28)/p+1