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

Systemtic Name: 6-chloranyl-2-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Openeye Name: 6-chloro-2-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 6-chloro-2-phenyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-quinolin-4-one IUPAC Name: 6-chloro-2-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-quinolin-4-one Traditional Name: 6-chloro-2-phenyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-quinolone Formula: C26H25ClN3O+ MolecularWeight: 430.9492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24ClN3O/c27-20-11-12-24-22(17-20)26(31)23(25(28-24)19-7-3-1-4-8-19)18-29-13-15-30(16-14-29)21-9-5-2-6-10-21/h1-12,17H,13-16,18H2,(H,28,31)/p+1