6-bromanyl-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one

Systemtic Name: 6-bromanyl-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one Openeye Name: 6-bromo-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one CAS Name: 6-bromo-3-[(4-ethyl-1-piperazin-4-iumyl)methyl]-2-methyl-1H-quinolin-4-one IUPAC Name: 6-bromo-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one Traditional Name: 6-bromo-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-4-quinolone Formula: C17H23BrN3O+ MolecularWeight: 365.28802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)Br)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)Br)C

InChI

InChI=1S/C17H22BrN3O/c1-3-20-6-8-21(9-7-20)11-15-12(2)19-16-5-4-13(18)10-14(16)17(15)22/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,22)/p+1