6-bromanyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-bromanyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Openeye Name: 6-bromo-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one CAS Name: 6-bromo-3-[5-(1-methyl-1-piperidin-1-iumyl)pentyl]-1-cyclohexa-2,4-dienone IUPAC Name: 6-bromo-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Traditional Name: 6-bromo-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Formula: C17H27BrNO+ MolecularWeight: 341.30638

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCCCC2=CC(=O)C(C=C2)Br

Isomeric SMILES

C[N+]1(CCCCC1)CCCCCC2=CC(=O)C(C=C2)Br

InChI

InChI=1S/C17H27BrNO/c1-19(12-6-3-7-13-19)11-5-2-4-8-15-9-10-16(18)17(20)14-15/h9-10,14,16H,2-8,11-13H2,1H3/q+1