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

Systemtic Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 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]-1H-quinolin-4-one IUPAC Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C16H23N3O+2 MolecularWeight: 273.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C16H21N3O/c1-12-14(11-19-9-7-18(2)8-10-19)16(20)13-5-3-4-6-15(13)17-12/h3-6H,7-11H2,1-2H3,(H,17,20)/p+2