(4-methylpiperazin-4-ium-1-yl)-[2-(4-phenylphenyl)quinolin-4-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[2-(4-phenylphenyl)quinolin-4-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[2-(4-phenylphenyl)-4-quinolyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[2-(4-phenylphenyl)-4-quinolinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[2-(4-phenylphenyl)quinolin-4-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[2-(4-phenylphenyl)-4-quinolyl]methanone Formula: C27H26N3O+ MolecularWeight: 408.51484

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O/c1-29-15-17-30(18-16-29)27(31)24-19-26(28-25-10-6-5-9-23(24)25)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-14,19H,15-18H2,1H3/p+1