2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-(2-methylpropoxy)-1H-quinolin-4-one

Systemtic Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-(2-methylpropoxy)-1H-quinolin-4-one Openeye Name: 6-isobutoxy-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 2-methyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-6-(2-methylpropoxy)-1H-quinolin-4-one IUPAC Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-(2-methylpropoxy)-1H-quinolin-4-one Traditional Name: 6-isobutoxy-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C20H31N3O2+2 MolecularWeight: 345.47904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC(C)C)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC(C)C)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C20H29N3O2/c1-14(2)13-25-16-5-6-19-17(11-16)20(24)18(15(3)21-19)12-23-9-7-22(4)8-10-23/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,21,24)/p+2