2,5,7-trimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one

Systemtic Name: 2,5,7-trimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 2,5,7-trimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 2,5,7-trimethyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1H-quinolin-4-one IUPAC Name: 2,5,7-trimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 2,5,7-trimethyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C18H27N3O+2 MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C)C)C

InChI

InChI=1S/C18H25N3O/c1-12-9-13(2)17-16(10-12)19-14(3)15(18(17)22)11-21-7-5-20(4)6-8-21/h9-10H,5-8,11H2,1-4H3,(H,19,22)/p+2