2,6,8-trimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one

Systemtic Name: 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 2,6,8-trimethyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinolin-4-one IUPAC Name: 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-quinolone Formula: C23H28N3O+ MolecularWeight: 362.48792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(=C(N2)C)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(=C(N2)C)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H27N3O/c1-16-13-17(2)22-20(14-16)23(27)21(18(3)24-22)15-25-9-11-26(12-10-25)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,27)/p+1