[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(5-methyl-2-thienyl)-4-quinolyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-(5-methyl-2-thiophenyl)-4-quinolinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(5-methyl-2-thienyl)-4-quinolyl]methanone Formula: C32H30N3OS+ MolecularWeight: 504.6651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H29N3OS/c1-23-16-17-30(37-23)29-22-27(26-14-8-9-15-28(26)33-29)32(36)35-20-18-34(19-21-35)31(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-17,22,31H,18-21H2,1H3/p+1