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

Systemtic Name: 2-bromanyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Openeye Name: 2-bromo-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-3-[5-(1-methyl-1-piperidin-1-iumyl)pentyl]-1-cyclohexa-2,4-dienone IUPAC Name: 2-bromo-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Traditional Name: 2-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=C(C(=O)CC=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H27BrNO/c1-19(13-6-3-7-14-19)12-5-2-4-9-15-10-8-11-16(20)17(15)18/h8,10H,2-7,9,11-14H2,1H3/q+1