(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-tosylpiperazin-1-ium-1-yl)propan-1-one Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C23H29N3O3S/c1-18-9-11-21(12-10-18)30(28,29)25-16-14-24(15-17-25)19(2)23(27)26-13-5-7-20-6-3-4-8-22(20)26/h3-4,6,8-12,19H,5,7,13-17H2,1-2H3/p+1/t19-/m1/s1