1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(4-phenylbutyl)piperazine-1,4-diium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(4-phenylbutyl)piperazine-1,4-diium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(4-phenylbutyl)piperazine-1,4-diium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(4-phenylbutyl)piperazine-1,4-diium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(4-phenylbutyl)piperazine-1,4-diium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(4-phenylbutyl)piperazine-1,4-diium Formula: C22H30N2O2+2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCCC2=CC=CC=C2)C3=C4C(=CC=C3)OCCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCCC2=CC=CC=C2)C3=C4C(=CC=C3)OCCO4

InChI

InChI=1S/C22H28N2O2/c1-2-7-19(8-3-1)9-4-5-12-23-13-15-24(16-14-23)20-10-6-11-21-22(20)26-18-17-25-21/h1-3,6-8,10-11H,4-5,9,12-18H2/p+2