6-ethanoyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one

Systemtic Name: 6-ethanoyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 6-acetyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 6-acetyl-2-methyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinolin-4-one IUPAC Name: 6-acetyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 6-acetyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-quinolone Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)C)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)C)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c1-16-21(23(28)20-14-18(17(2)27)8-9-22(20)24-16)15-25-10-12-26(13-11-25)19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3,(H,24,28)/p+1