2-methoxy-4-(5-piperidin-1-ium-4-yl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2-methoxy-4-(5-piperidin-1-ium-4-yl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-methoxy-4-(5-piperidin-1-ium-4-yl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-methoxy-4-[5-(4-piperidin-1-iumyl)-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-methoxy-4-(5-piperidin-1-ium-4-yl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-methoxy-4-(5-piperidin-1-ium-4-yl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C14H18N3O3+ MolecularWeight: 276.31102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2NOC(=N2)C3CC[NH2+]CC3)C=CC1=O

Isomeric SMILES

COC1=CC(=C2NOC(=N2)C3CC[NH2+]CC3)C=CC1=O

InChI

InChI=1S/C14H17N3O3/c1-19-12-8-10(2-3-11(12)18)13-16-14(20-17-13)9-4-6-15-7-5-9/h2-3,8-9,15,17H,4-7H2,1H3/p+1