[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2-methylquinolin-4-yl)methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2-methylquinolin-4-yl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-4-quinolyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(2-methyl-4-quinolinyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2-methylquinolin-4-yl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-4-quinolyl)methanone Formula: C20H21ClN3OS+ MolecularWeight: 386.91824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C20H20ClN3OS/c1-14-12-17(16-4-2-3-5-18(16)22-14)20(25)24-10-8-23(9-11-24)13-15-6-7-19(21)26-15/h2-7,12H,8-11,13H2,1H3/p+1