ethyl 4-[[6-oxidanylidene-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[6-oxidanylidene-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[6-oxo-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[6-oxo-3-(1H-pyrimidin-2-ylidene)-1-cyclohexa-1,4-dienyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-oxo-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[6-keto-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H23N4O3+ MolecularWeight: 343.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C3NC=CC=N3)C=CC2=O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C3NC=CC=N3)C=CC2=O

InChI

InChI=1S/C18H22N4O3/c1-2-25-18(24)22-10-8-21(9-11-22)13-15-12-14(4-5-16(15)23)17-19-6-3-7-20-17/h3-7,12,19H,2,8-11,13H2,1H3/p+1