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

Systemtic Name: 8-ethyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 8-ethyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 8-ethyl-2-methyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinolin-4-one IUPAC Name: 8-ethyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 8-ethyl-2-methyl-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:

CCC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

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