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

Systemtic Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone Openeye Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone CAS Name: [4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone IUPAC Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone Traditional Name: [4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)methanone Formula: C22H27ClN3O3S+ MolecularWeight: 448.98608

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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(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-30(28,29)26-10-2-3-18-15-19(6-9-21(18)26)22(27)25-13-11-24(12-14-25)16-17-4-7-20(23)8-5-17/h4-9,15H,2-3,10-14,16H2,1H3/p+1