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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]-methyl-ammonium Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C26H28N2O3/c1-18-9-10-19(2)22(15-18)27-26(29)25(21-7-5-4-6-8-21)28(3)17-20-11-12-23-24(16-20)31-14-13-30-23/h4-12,15-16,25H,13-14,17H2,1-3H3,(H,27,29)/p+1/t25-/m0/s1