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

Systemtic Name: (2-naphthalen-1-ylquinolin-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(1-naphthyl)-4-quinolyl]methanone CAS Name: [2-(1-naphthalenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-naphthalen-1-ylquinolin-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(1-naphthyl)-4-quinolyl]methanone Formula: C31H28N3O+ MolecularWeight: 458.57352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H27N3O/c35-31(34-19-17-33(18-20-34)22-23-9-2-1-3-10-23)28-21-30(32-29-16-7-6-14-27(28)29)26-15-8-12-24-11-4-5-13-25(24)26/h1-16,21H,17-20,22H2/p+1