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

Systemtic Name: [(2S)-1-[[4-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[[4-(diethylamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]methylamino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[4-(diethylamino)-6-oxo-1-cyclohexa-2,4-dienylidene]methylamino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[[4-(diethylamino)-6-keto-cyclohexa-2,4-dien-1-ylidene]methylamino]ethyl]-dimethyl-ammonium Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O/c1-5-25(6-2)20-13-12-19(22(26)15-20)16-23-17-21(24(3)4)14-18-10-8-7-9-11-18/h7-13,15-16,21,23H,5-6,14,17H2,1-4H3/p+1/t21-/m0/s1