1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]azanium Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: [(2R)-1-anilino-1-oxopropan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [(1R)-2-anilino-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O3/c1-13(18(21)19-15-6-4-3-5-7-15)20(2)11-14-8-9-16-17(10-14)23-12-22-16/h3-10,13H,11-12H2,1-2H3,(H,19,21)/p+1/t13-/m1/s1