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

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-(1H-pyridin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C19H25N2O+ MolecularWeight: 297.4146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC(=C3C=CC=CN3)C=CC2=O

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CC(=C3C=CC=CN3)C=CC2=O

InChI

InChI=1S/C19H24N2O/c1-2-17-7-4-6-12-21(17)14-16-13-15(9-10-19(16)22)18-8-3-5-11-20-18/h3,5,8-11,13,17,20H,2,4,6-7,12,14H2,1H3/p+1/t17-/m0/s1