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

Systemtic Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]-1,3-benzoxazol-2-one Formula: C22H24N3O5+ MolecularWeight: 410.44306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C22H23N3O5/c26-21(7-8-25-17-3-1-2-4-18(17)30-22(25)27)24-11-9-23(10-12-24)14-16-5-6-19-20(13-16)29-15-28-19/h1-6,13H,7-12,14-15H2/p+1