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

Systemtic Name: (2-cyclopropylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-cyclopropyl-4-quinolyl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-cyclopropyl-4-quinolinyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-cyclopropylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-cyclopropyl-4-quinolyl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C22H24N3OS+ MolecularWeight: 378.51046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CS5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CS5

InChI

InChI=1S/C22H23N3OS/c26-22(25-11-9-24(10-12-25)15-17-4-3-13-27-17)19-14-21(16-7-8-16)23-20-6-2-1-5-18(19)20/h1-6,13-14,16H,7-12,15H2/p+1