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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(1,3-benzoxazol-2-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(1,3-benzoxazol-2-yl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(1,3-benzoxazol-2-yl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(1,3-benzoxazol-2-yl)propan-1-one Traditional Name: 3-(1,3-benzoxazol-2-yl)-1-(4-piperonylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H23N3O4/c26-22(8-7-21-23-17-3-1-2-4-18(17)29-21)25-11-9-24(10-12-25)14-16-5-6-19-20(13-16)28-15-27-19/h1-6,13H,7-12,14-15H2/p+1