2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-benzoxazole

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-(4-piperonylpiperazin-4-ium-1-yl)-1,3-benzoxazole Formula: C19H20N3O3+ MolecularWeight: 338.3804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C19H19N3O3/c1-2-4-16-15(3-1)20-19(25-16)22-9-7-21(8-10-22)12-14-5-6-17-18(11-14)24-13-23-17/h1-6,11H,7-10,12-13H2/p+1