[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

Systemtic Name: [4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Openeye Name: [4-(3-thienylmethyl)piperazin-4-ium-1-yl]-[2-(2-thienyl)-4-quinolyl]methanone CAS Name: [4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-(2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: [4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: [4-(3-thenyl)piperazin-4-ium-1-yl]-[2-(2-thienyl)-4-quinolyl]methanone Formula: C23H22N3OS2+ MolecularWeight: 420.57028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3OS2/c27-23(26-10-8-25(9-11-26)15-17-7-13-28-16-17)19-14-21(22-6-3-12-29-22)24-20-5-2-1-4-18(19)20/h1-7,12-14,16H,8-11,15H2/p+1