(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-benzylpyridin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-benzylpyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-benzylpyridin-1-ium-1-yl)propionamide Formula: C22H21N2O3+ MolecularWeight: 361.41374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[N+]3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[N+]3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3/c1-16(22(25)23-19-7-8-20-21(14-19)27-15-26-20)24-11-9-18(10-12-24)13-17-5-3-2-4-6-17/h2-12,14,16H,13,15H2,1H3/p+1/t16-/m1/s1