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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]azanium Traditional Name: piperonyl-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]ammonium Formula: C18H22N2O2+2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=CC=CC=C21)C[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH2+][C@@H](C2=CC=CC=C21)C[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N2O2/c1-2-4-15-14(3-1)7-8-20-16(15)11-19-10-13-5-6-17-18(9-13)22-12-21-17/h1-6,9,16,19-20H,7-8,10-12H2/p+2/t16-/m1/s1