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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]propanamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]propanamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]propanamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]propanamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]propionamide Formula: C16H23N2O4+ MolecularWeight: 307.36482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC(C1=CC2=C(C=C1)OCO2)[NH+]3CCOCC3

Isomeric SMILES

CCC(=O)NC[C@H](C1=CC2=C(C=C1)OCO2)[NH+]3CCOCC3

InChI

InChI=1S/C16H22N2O4/c1-2-16(19)17-10-13(18-5-7-20-8-6-18)12-3-4-14-15(9-12)22-11-21-14/h3-4,9,13H,2,5-8,10-11H2,1H3,(H,17,19)/p+1/t13-/m1/s1