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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O2S/c1-28-20-8-4-2-6-17(20)10-13-24-22(27)16-26-14-11-18(12-15-26)23-25-19-7-3-5-9-21(19)29-23/h2-9,18H,10-16H2,1H3,(H,24,27)/p+1