1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propan-1-one Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c23-18(16-6-7-19-20(14-16)25-15-24-19)8-9-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2/p+1