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

Systemtic Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one Openeye Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-isobutoxy-2-methyl-1H-quinolin-4-one CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one IUPAC Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one Traditional Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-isobutoxy-2-methyl-4-quinolone Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC(C)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC(C)C)C

InChI

InChI=1S/C21H31N3O2/c1-5-23-8-10-24(11-9-23)13-19-16(4)22-20-7-6-17(26-14-15(2)3)12-18(20)21(19)25/h6-7,12,15H,5,8-11,13-14H2,1-4H3,(H,22,25)/p+1