[2-(3-methoxyphenyl)-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-phenethyl-azanium

Systemtic Name: [2-(3-methoxyphenyl)-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-phenethyl-azanium Openeye Name: [2-(3-methoxyphenyl)-3,4-dioxo-cyclobuten-1-yl]-dimethyl-phenethyl-ammonium CAS Name: [2-(3-methoxyphenyl)-3,4-dioxo-1-cyclobutenyl]-dimethyl-phenethylammonium IUPAC Name: [2-(3-methoxyphenyl)-3,4-dioxocyclobuten-1-yl]-dimethyl-phenethylazanium Traditional Name: [3,4-diketo-2-(3-methoxyphenyl)cyclobuten-1-yl]-dimethyl-phenethyl-ammonium Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=CC=C1)C2=C(C(=O)C2=O)C3=CC(=CC=C3)OC

Isomeric SMILES

C[N+](C)(CCC1=CC=CC=C1)C2=C(C(=O)C2=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H22NO3/c1-22(2,13-12-15-8-5-4-6-9-15)19-18(20(23)21(19)24)16-10-7-11-17(14-16)25-3/h4-11,14H,12-13H2,1-3H3/q+1