2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]azanium Openeye Name: [(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(benzylamino)-1-oxopropan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: [(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H24N2O3/c1-15(20(23)21-13-16-6-4-3-5-7-16)22(2)14-17-8-9-18-19(12-17)25-11-10-24-18/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,21,23)/p+1/t15-/m0/s1