[(1S)-1-(3-methoxyphenyl)-2-[(6-oxidanylidene-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3-methoxyphenyl)-2-[(6-oxidanylidene-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3-methoxyphenyl)-2-[(6-oxo-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-methoxyphenyl)-2-[(6-oxo-4-propoxy-1-cyclohexa-2,4-dienylidene)methylamino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3-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-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-5-11-26-19-10-9-17(21(24)13-19)14-22-15-20(23(2)3)16-7-6-8-18(12-16)25-4/h6-10,12-14,20,22H,5,11,15H2,1-4H3/p+1/t20-/m1/s1