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

Systemtic Name: [3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: [3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl-(3-morpholinopropyl)ammonium CAS Name: [3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: [6-keto-3-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl-(3-morpholinopropyl)ammonium Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH2+]CCCN3CCOCC3)N1

Isomeric SMILES

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH2+]CCCN3CCOCC3)N1

InChI

InChI=1S/C20H27N3O3/c1-25-20-5-2-4-18(22-20)16-6-7-19(24)17(14-16)15-21-8-3-9-23-10-12-26-13-11-23/h2,4-7,14,21-22H,3,8-13,15H2,1H3/p+1