[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium

Systemtic Name: [(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium Openeye Name: [(1S)-2-amino-2-oxo-1-phenyl-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: [(1S)-2-amino-2-oxo-1-phenylethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: [(1S)-2-amino-2-oxo-1-phenylethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: [(1S)-2-amino-2-keto-1-phenyl-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)C(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)[C@@H](C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C18H20N2O3/c1-20(17(18(19)21)14-5-3-2-4-6-14)12-13-7-8-15-16(11-13)23-10-9-22-15/h2-8,11,17H,9-10,12H2,1H3,(H2,19,21)/p+1/t17-/m0/s1