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

Systemtic Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-4-(1H-pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC(=C3NC=CC=N3)C=CC2=O

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O/c1-13-5-2-3-10-20(13)12-15-11-14(6-7-16(15)21)17-18-8-4-9-19-17/h4,6-9,11,13,18H,2-3,5,10,12H2,1H3/p+1/t13-/m0/s1