3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-propylpiperazin-4-ium-1-yl)carbonylphenyl]propanamide

Systemtic Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-propylpiperazin-4-ium-1-yl)carbonylphenyl]propanamide Openeye Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]propanamide CAS Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]phenyl]propanamide IUPAC Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]propanamide Traditional Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[4-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]propionamide Formula: C25H32N3O4+ MolecularWeight: 438.53928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C25H31N3O4/c1-2-13-27-14-16-28(17-15-27)25(30)19-7-9-20(10-8-19)26-24(29)12-11-21-18-31-22-5-3-4-6-23(22)32-21/h3-10,21H,2,11-18H2,1H3,(H,26,29)/p+1/t21-/m0/s1