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

Systemtic Name: 6-butyl-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 6-butyl-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 6-butyl-2-methyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1H-quinolin-4-one IUPAC Name: 6-butyl-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 6-butyl-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C20H31N3O+2 MolecularWeight: 329.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H29N3O/c1-4-5-6-16-7-8-19-17(13-16)20(24)18(15(2)21-19)14-23-11-9-22(3)10-12-23/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,21,24)/p+2