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

Systemtic Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one Openeye Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one CAS Name: 2-methyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-6-phenoxy-1H-quinolin-4-one IUPAC Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one Traditional Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenoxy-4-quinolone Formula: C22H27N3O2+2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OC3=CC=CC=C3)C[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OC3=CC=CC=C3)C[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C22H25N3O2/c1-16-20(15-25-12-10-24(2)11-13-25)22(26)19-14-18(8-9-21(19)23-16)27-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)/p+2