[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)methanone Formula: C20H25ClN3O3S2+ MolecularWeight: 455.0138

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C20H24ClN3O3S2/c1-29(26,27)24-8-2-3-15-13-16(4-6-18(15)24)20(25)23-11-9-22(10-12-23)14-17-5-7-19(21)28-17/h4-7,13H,2-3,8-12,14H2,1H3/p+1