[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: benzyl-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3/c1-14(21(2)13-15-6-4-3-5-7-15)19(22)20-16-8-9-17-18(12-16)24-11-10-23-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,22)/p+1/t14-/m1/s1