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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCC2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCC2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

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