1-(1,3-benzodioxol-5-ylmethyl)-4-[(2S)-butan-2-yl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2S)-butan-2-yl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1S)-1-methylpropyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2S)-butan-2-yl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2S)-butan-2-yl]piperazine-1,4-diium Traditional Name: 1-[(1S)-1-methylpropyl]-4-piperonyl-piperazine-1,4-diium Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-3-13(2)18-8-6-17(7-9-18)11-14-4-5-15-16(10-14)20-12-19-15/h4-5,10,13H,3,6-9,11-12H2,1-2H3/p+2/t13-/m0/s1