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

Systemtic Name: (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one CAS Name: (2R)-2-[4-(3-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(3,4-dihydro-2H-quinolin-1-yl)-1-propanone IUPAC Name: (2R)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one Traditional Name: (2R)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one Formula: C24H30N3O4S+ MolecularWeight: 456.5777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CCCC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C24H29N3O4S/c1-18(24(29)27-12-6-9-20-7-3-4-11-23(20)27)25-13-15-26(16-14-25)32(30,31)22-10-5-8-21(17-22)19(2)28/h3-5,7-8,10-11,17-18H,6,9,12-16H2,1-2H3/p+1/t18-/m1/s1