[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-keto-2-(piperonylamino)ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O3/c1-13(15-5-3-2-4-6-15)19-11-18(21)20-10-14-7-8-16-17(9-14)23-12-22-16/h2-9,13,19H,10-12H2,1H3,(H,20,21)/p+1/t13-/m1/s1