1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

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