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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-14(21(25)22-18-7-5-17(6-8-18)15(2)24)23(3)13-16-4-9-19-20(12-16)27-11-10-26-19/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,25)/p+1/t14-/m1/s1