2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H26N2O3/c1-14-5-6-15(2)18(11-14)22-21(24)16(3)23(4)13-17-7-8-19-20(12-17)26-10-9-25-19/h5-8,11-12,16H,9-10,13H2,1-4H3,(H,22,24)/p+1/t16-/m0/s1