cyclooctyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]azanium

Systemtic Name: cyclooctyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]azanium Openeye Name: cyclooctyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]ammonium CAS Name: cyclooctyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]ammonium IUPAC Name: cyclooctyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]azanium Traditional Name: cyclooctyl-[[6-keto-3-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH2+]C3CCCCCCC3)N1

Isomeric SMILES

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH2+]C3CCCCCCC3)N1

InChI

InChI=1S/C21H28N2O2/c1-25-21-11-7-10-19(23-21)16-12-13-20(24)17(14-16)15-22-18-8-5-3-2-4-6-9-18/h7,10-14,18,22-23H,2-6,8-9,15H2,1H3/p+1