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

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

CC1CC[NH+](CC1)CC2=CC(=C3NC=CC=N3)C=CC2=O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=C3NC=CC=N3)C=CC2=O

InChI

InChI=1S/C17H21N3O/c1-13-5-9-20(10-6-13)12-15-11-14(3-4-16(15)21)17-18-7-2-8-19-17/h2-4,7-8,11,13,18H,5-6,9-10,12H2,1H3/p+1