(4-butyliminocyclohexa-2,5-dien-1-ylidene)-[2-[dimethyl(pentyl)azaniumyl]ethoxy]methanolate

Systemtic Name: (4-butyliminocyclohexa-2,5-dien-1-ylidene)-[2-[dimethyl(pentyl)azaniumyl]ethoxy]methanolate Openeye Name: (4-butyliminocyclohexa-2,5-dien-1-ylidene)-[2-[dimethyl(pentyl)ammonio]ethoxy]methanolate CAS Name: (4-butylimino-1-cyclohexa-2,5-dienylidene)-[2-[dimethyl(pentyl)ammonio]ethoxy]methanolate IUPAC Name: (4-butyliminocyclohexa-2,5-dien-1-ylidene)-[2-[dimethyl(pentyl)azaniumyl]ethoxy]methanolate Traditional Name: 2-[amyl(dimethyl)ammonio]ethoxy-(4-butyliminocyclohexa-2,5-dien-1-ylidene)methanolate Formula: C20H34N2O2 MolecularWeight: 334.49616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(C)CCOC(=C1C=CC(=NCCCC)C=C1)[O-]

Isomeric SMILES

CCCCC[N+](C)(C)CCOC(=C1C=CC(=NCCCC)C=C1)[O-]

InChI

InChI=1S/C20H34N2O2/c1-5-7-9-15-22(3,4)16-17-24-20(23)18-10-12-19(13-11-18)21-14-8-6-2/h10-13H,5-9,14-17H2,1-4H3