2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]ethyl-methyl-azanium

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]ethyl-methyl-azanium Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]ethyl-methyl-ammonium CAS Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]ethyl-methylammonium IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]ethyl-methylazanium Traditional Name: methyl-[2-(1-piperonylpiperidin-1-ium-4-yl)ethyl]ammonium Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH2+]CCC1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H24N2O2/c1-17-7-4-13-5-8-18(9-6-13)11-14-2-3-15-16(10-14)20-12-19-15/h2-3,10,13,17H,4-9,11-12H2,1H3/p+2