[(1S)-1-(2-methoxyphenyl)-2-[(6-oxidanylidene-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-methoxyphenyl)-2-[(6-oxidanylidene-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-methoxyphenyl)-2-[(6-oxo-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-methoxyphenyl)-2-[(6-oxo-4-propoxy-1-cyclohexa-2,4-dienylidene)methylamino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-methoxyphenyl)-2-[(6-oxo-4-propoxycyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(6-keto-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNCC(C2=CC=CC=C2OC)[NH+](C)C)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNC[C@H](C2=CC=CC=C2OC)[NH+](C)C)C=C1

InChI

InChI=1S/C21H28N2O3/c1-5-12-26-17-11-10-16(20(24)13-17)14-22-15-19(23(2)3)18-8-6-7-9-21(18)25-4/h6-11,13-14,19,22H,5,12,15H2,1-4H3/p+1/t19-/m1/s1