1,3-benzodioxol-5-ylmethyl-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: piperonyl-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H24N2O2/c1-2-7-18-8-5-14(6-9-18)17-11-13-3-4-15-16(10-13)20-12-19-15/h3-4,10,14,17H,2,5-9,11-12H2,1H3/p+2