1-(1,3-benzodioxol-5-ylmethyl)-4-(3-phenylpropyl)piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-phenylpropyl)piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-phenylpropyl)piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-phenylpropyl)piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-phenylpropyl)piperazine-1,4-diium Traditional Name: 1-(3-phenylpropyl)-4-piperonyl-piperazine-1,4-diium Formula: C21H28N2O2+2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N2O2/c1-2-5-18(6-3-1)7-4-10-22-11-13-23(14-12-22)16-19-8-9-20-21(15-19)25-17-24-20/h1-3,5-6,8-9,15H,4,7,10-14,16-17H2/p+2