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

Systemtic Name: 2-methyl-6-(2-methylpropoxy)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 6-isobutoxy-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 2-methyl-6-(2-methylpropoxy)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinolin-4-one IUPAC Name: 2-methyl-6-(2-methylpropoxy)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 6-isobutoxy-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-quinolone Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2/c1-18(2)17-30-21-9-10-24-22(15-21)25(29)23(19(3)26-24)16-27-11-13-28(14-12-27)20-7-5-4-6-8-20/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,26,29)/p+1