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

Systemtic Name: (2-cyclopropylquinolin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-cyclopropyl-4-quinolyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-cyclopropyl-4-quinolinyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-cyclopropylquinolin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-cyclopropyl-4-quinolyl)-[4-(3-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=CSC=C5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CSC=C5

InChI

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