[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(5-chloranylthiophen-2-yl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(5-chloro-2-thienyl)-4-quinolyl]methanone CAS Name: [2-(5-chloro-2-thiophenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(5-chlorothiophen-2-yl)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(5-chloro-2-thienyl)-4-quinolyl]methanone Formula: C25H23ClN3OS+ MolecularWeight: 448.98762

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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=C(S5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

InChI

InChI=1S/C25H22ClN3OS/c26-24-11-10-23(31-24)22-16-20(19-8-4-5-9-21(19)27-22)25(30)29-14-12-28(13-15-29)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2/p+1