6-methoxy-3-[5-(1-methylpiperidin-1-ium-1-yl)pent-1-ynyl]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-methoxy-3-[5-(1-methylpiperidin-1-ium-1-yl)pent-1-ynyl]cyclohexa-2,4-dien-1-one Openeye Name: 6-methoxy-3-[5-(1-methylpiperidin-1-ium-1-yl)pent-1-ynyl]cyclohexa-2,4-dien-1-one CAS Name: 6-methoxy-3-[5-(1-methyl-1-piperidin-1-iumyl)pent-1-ynyl]-1-cyclohexa-2,4-dienone IUPAC Name: 6-methoxy-3-[5-(1-methylpiperidin-1-ium-1-yl)pent-1-ynyl]cyclohexa-2,4-dien-1-one Traditional Name: 6-methoxy-3-[5-(1-methylpiperidin-1-ium-1-yl)pent-1-ynyl]cyclohexa-2,4-dien-1-one Formula: C18H26NO2+ MolecularWeight: 288.40454

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCC#CC2=CC(=O)C(C=C2)OC

Isomeric SMILES

C[N+]1(CCCCC1)CCCC#CC2=CC(=O)C(C=C2)OC

InChI

InChI=1S/C18H26NO2/c1-19(13-7-4-8-14-19)12-6-3-5-9-16-10-11-18(21-2)17(20)15-16/h10-11,15,18H,3-4,6-8,12-14H2,1-2H3/q+1