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

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(2-thienyl)-4-quinolyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(2-thienyl)-4-quinolyl]methanone Formula: C25H24N3OS+ MolecularWeight: 414.54256

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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=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C25H23N3OS/c29-25(28-14-12-27(13-15-28)18-19-7-2-1-3-8-19)21-17-23(24-11-6-16-30-24)26-22-10-5-4-9-20(21)22/h1-11,16-17H,12-15,18H2/p+1