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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-pyridin-3-yl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3-pyridyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(3-pyridinyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-pyridin-3-ylpropan-1-one Traditional Name: 1-(4-piperonylpiperazin-4-ium-1-yl)-3-(3-pyridyl)propan-1-one Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CN=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CN=CC=C4

InChI

InChI=1S/C20H23N3O3/c24-20(6-4-16-2-1-7-21-13-16)23-10-8-22(9-11-23)14-17-3-5-18-19(12-17)26-15-25-18/h1-3,5,7,12-13H,4,6,8-11,14-15H2/p+1