(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-benzoylpiperidin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-benzoyl-1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-benzoylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-benzoylpiperidin-1-ium-1-yl)propionamide Formula: C22H25N2O4+ MolecularWeight: 381.4449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O4/c1-15(22(26)23-18-7-8-19-20(13-18)28-14-27-19)24-11-9-17(10-12-24)21(25)16-5-3-2-4-6-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,23,26)/p+1/t15-/m0/s1