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

Systemtic Name: 3-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-phenyl-propanamide Openeye Name: 3-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-phenyl-propanamide CAS Name: 3-[1-(1,3-benzothiazol-2-ylmethyl)-4-piperidin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-phenylpropanamide Traditional Name: 3-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-phenyl-propionamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NC2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3OS/c26-21(23-18-6-2-1-3-7-18)11-10-17-12-14-25(15-13-17)16-22-24-19-8-4-5-9-20(19)27-22/h1-9,17H,10-16H2,(H,23,26)/p+1