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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzylpyridin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzylpyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-piperonyl-propionamide Formula: C23H23N2O3+ MolecularWeight: 375.44032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[N+]3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[N+]3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3/c1-17(23(26)24-15-20-7-8-21-22(14-20)28-16-27-21)25-11-9-19(10-12-25)13-18-5-3-2-4-6-18/h2-12,14,17H,13,15-16H2,1H3/p+1/t17-/m1/s1