N-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C19H22N3O3+ MolecularWeight: 340.39628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H21N3O3/c23-19(20-15-6-7-17-18(12-15)25-14-24-17)13-21-8-10-22(11-9-21)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,20,23)/p+1