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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C19H20N3O3+ MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c1-13(19(23)21-16-5-3-4-14(8-16)10-20)22(2)11-15-6-7-17-18(9-15)25-12-24-17/h3-9,13H,11-12H2,1-2H3,(H,21,23)/p+1/t13-/m1/s1