2,3-dihydro-1,4-benzodioxin-6-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O3/c24-21(18-6-7-19-20(16-18)26-15-14-25-19)23-12-10-22(11-13-23)9-8-17-4-2-1-3-5-17/h1-7,16H,8-15H2/p+1