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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pentan-3-yl-piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-ethylpropyl)piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pentan-3-ylpiperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pentan-3-ylpiperazine-1,4-diium Traditional Name: 1-(1-ethylpropyl)-4-piperonyl-piperazine-1,4-diium Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H26N2O2/c1-3-15(4-2)19-9-7-18(8-10-19)12-14-5-6-16-17(11-14)21-13-20-16/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3/p+2