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

Systemtic Name: 6-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one Openeye Name: 6-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one CAS Name: 6-methyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-phenyl-1H-quinolin-4-one IUPAC Name: 6-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one Traditional Name: 6-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-4-quinolone Formula: C22H27N3O+2 MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-16-8-9-20-18(14-16)22(26)19(15-25-12-10-24(2)11-13-25)21(23-20)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)/p+2