3-(3,4-dimethoxyphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]propanamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]propanamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[4-(4-morpholin-4-iumylmethyl)phenyl]propanamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]propanamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]propionamide Formula: C22H29N2O4+ MolecularWeight: 385.47666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)OC

InChI

InChI=1S/C22H28N2O4/c1-26-20-9-5-17(15-21(20)27-2)6-10-22(25)23-19-7-3-18(4-8-19)16-24-11-13-28-14-12-24/h3-5,7-9,15H,6,10-14,16H2,1-2H3,(H,23,25)/p+1