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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-m-anisyl-N-methyl-acetamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)OC)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC1=CC(=CC=C1)OC)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O2S/c1-25(15-17-6-5-7-19(14-17)28-2)22(27)16-26-12-10-18(11-13-26)23-24-20-8-3-4-9-21(20)29-23/h3-9,14,18H,10-13,15-16H2,1-2H3/p+1