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

Systemtic Name: 8-chloranyl-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 8-chloro-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 8-chloro-2-methyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinolin-4-one IUPAC Name: 8-chloro-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 8-chloro-2-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-quinolone Formula: C21H23ClN3O+ MolecularWeight: 368.87982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C(=CC=C2)Cl)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C(=CC=C2)Cl)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O/c1-15-18(21(26)17-8-5-9-19(22)20(17)23-15)14-24-10-12-25(13-11-24)16-6-3-2-4-7-16/h2-9H,10-14H2,1H3,(H,23,26)/p+1