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

Systemtic Name: (2-methylquinolin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-methyl-4-quinolyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-methyl-4-quinolinyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methylquinolin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-methyl-4-quinolyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C20H21N3OS/c1-15-12-18(17-4-2-3-5-19(17)21-15)20(24)23-9-7-22(8-10-23)13-16-6-11-25-14-16/h2-6,11-12,14H,7-10,13H2,1H3/p+1