[4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-phenylquinolin-4-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-phenylquinolin-4-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-phenyl-4-quinolyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(2-phenyl-4-quinolinyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-phenylquinolin-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-phenyl-4-quinolyl)methanone Formula: C27H26N3O+ MolecularWeight: 408.51484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O/c31-27(30-17-15-29(16-18-30)20-21-9-3-1-4-10-21)24-19-26(22-11-5-2-6-12-22)28-25-14-8-7-13-23(24)25/h1-14,19H,15-18,20H2/p+1