2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-phenylazanyl-butan-2-yl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-phenylazanyl-butan-2-yl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1R)-1-(phenylcarbamoyl)propyl]ammonium CAS Name: [(2R)-1-anilino-1-oxobutan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: [(2R)-1-anilino-1-oxobutan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1R)-1-(phenylcarbamoyl)propyl]ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=CC=C1)[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H24N2O3/c1-3-17(20(23)21-16-7-5-4-6-8-16)22(2)14-15-9-10-18-19(13-15)25-12-11-24-18/h4-10,13,17H,3,11-12,14H2,1-2H3,(H,21,23)/p+1/t17-/m1/s1