1,3-benzodioxol-5-ylmethyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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