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

Systemtic Name: 6-ethyl-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one Openeye Name: 6-ethyl-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one CAS Name: 6-ethyl-3-[(4-ethyl-1-piperazin-4-iumyl)methyl]-2-methyl-1H-quinolin-4-one IUPAC Name: 6-ethyl-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one Traditional Name: 6-ethyl-3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-4-quinolone Formula: C19H28N3O+ MolecularWeight: 314.44512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=C(C2=O)CN3CC[NH+](CC3)CC)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=C(C2=O)CN3CC[NH+](CC3)CC)C

InChI

InChI=1S/C19H27N3O/c1-4-15-6-7-18-16(12-15)19(23)17(14(3)20-18)13-22-10-8-21(5-2)9-11-22/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,20,23)/p+1