2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-(1H-pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC(=C3NC=CC=N3)C=CC2=O

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CC(=C3NC=CC=N3)C=CC2=O

InChI

InChI=1S/C18H23N3O/c1-2-16-6-3-4-11-21(16)13-15-12-14(7-8-17(15)22)18-19-9-5-10-20-18/h5,7-10,12,16,19H,2-4,6,11,13H2,1H3/p+1/t16-/m0/s1