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

Systemtic Name: 6-butoxy-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 6-butoxy-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 6-butoxy-2-methyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1H-quinolin-4-one IUPAC Name: 6-butoxy-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 6-butoxy-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:

CCCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H29N3O2/c1-4-5-12-25-16-6-7-19-17(13-16)20(24)18(15(2)21-19)14-23-10-8-22(3)9-11-23/h6-7,13H,4-5,8-12,14H2,1-3H3,(H,21,24)/p+2