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

Systemtic Name: 2-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[(4-cyclohexyl-1-piperazin-4-iumyl)methyl]-4-(1H-pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)CC3=CC(=C4NC=CC=N4)C=CC3=O

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)CC3=CC(=C4NC=CC=N4)C=CC3=O

InChI

InChI=1S/C21H28N4O/c26-20-8-7-17(21-22-9-4-10-23-21)15-18(20)16-24-11-13-25(14-12-24)19-5-2-1-3-6-19/h4,7-10,15,19,22H,1-3,5-6,11-14,16H2/p+1