6-methyl-3-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-phenyl-quinolin-4-olate

Systemtic Name: 6-methyl-3-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-phenyl-quinolin-4-olate Openeye Name: 6-methyl-3-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-phenyl-quinolin-4-olate CAS Name: 6-methyl-3-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-phenyl-4-quinolinolate IUPAC Name: 6-methyl-3-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-phenylquinolin-4-olate Traditional Name: 6-methyl-3-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-phenyl-quinolin-4-olate Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2[O-])C[NH+]3CCN(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)