[(2S)-1-[(5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(5-ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(5-ethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[(5-ethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(5-ethoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]-dimethyl-ammonium Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNCC(CC2=CC=CC=C2)[NH+](C)C)C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNC[C@H](CC2=CC=CC=C2)[NH+](C)C)C1=O

InChI

InChI=1S/C20H26N2O2/c1-4-24-19-12-8-11-17(20(19)23)14-21-15-18(22(2)3)13-16-9-6-5-7-10-16/h5-12,14,18,21H,4,13,15H2,1-3H3/p+1/t18-/m0/s1