(3R)-8-bromanyl-3-ethyl-6-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one

Systemtic Name: (3R)-8-bromanyl-3-ethyl-6-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: (3R)-8-bromo-3-ethyl-6-methyl-3-(piperidin-1-ium-1-ylmethyl)chroman-4-one CAS Name: (3R)-8-bromo-3-ethyl-6-methyl-3-(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-8-bromo-3-ethyl-6-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: (3R)-8-bromo-3-ethyl-6-methyl-3-(piperidin-1-ium-1-ylmethyl)chroman-4-one Formula: C18H25BrNO2+ MolecularWeight: 367.3006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COC2=C(C=C(C=C2C1=O)C)Br)C[NH+]3CCCCC3

Isomeric SMILES

CC[C@]1(COC2=C(C=C(C=C2C1=O)C)Br)C[NH+]3CCCCC3

InChI

InChI=1S/C18H24BrNO2/c1-3-18(11-20-7-5-4-6-8-20)12-22-16-14(17(18)21)9-13(2)10-15(16)19/h9-10H,3-8,11-12H2,1-2H3/p+1/t18-/m1/s1