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

Systemtic Name: 4-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[[6-keto-3-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde Formula: C18H22N3O3+ MolecularWeight: 328.38558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCN(CC3)C=O)N1

Isomeric SMILES

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCN(CC3)C=O)N1

InChI

InChI=1S/C18H21N3O3/c1-24-18-4-2-3-16(19-18)14-5-6-17(23)15(11-14)12-20-7-9-21(13-22)10-8-20/h2-6,11,13,19H,7-10,12H2,1H3/p+1