2,5,7-trimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one

Systemtic Name: 2,5,7-trimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 2,5,7-trimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 2,5,7-trimethyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinolin-4-one IUPAC Name: 2,5,7-trimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 2,5,7-trimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-quinolone Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C23H27N3O/c1-16-13-17(2)22-21(14-16)24-18(3)20(23(22)27)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