2,8-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one

Systemtic Name: 2,8-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 2,8-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 2,8-dimethyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1H-quinolin-4-one IUPAC Name: 2,8-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 2,8-dimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C17H25N3O+2 MolecularWeight: 287.3999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C)C

InChI

InChI=1S/C17H23N3O/c1-12-5-4-6-14-16(12)18-13(2)15(17(14)21)11-20-9-7-19(3)8-10-20/h4-6H,7-11H2,1-3H3,(H,18,21)/p+2