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

Systemtic Name: 6-butyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 6-butyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 6-butyl-2-methyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinolin-4-one IUPAC Name: 6-butyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 6-butyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-quinolone Formula: C25H32N3O+ MolecularWeight: 390.54108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H31N3O/c1-3-4-8-20-11-12-24-22(17-20)25(29)23(19(2)26-24)18-27-13-15-28(16-14-27)21-9-6-5-7-10-21/h5-7,9-12,17H,3-4,8,13-16,18H2,1-2H3,(H,26,29)/p+1