1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c1-19-11-12-21-9-5-6-10-22(21)26(19)23(27)17-24-13-15-25(16-14-24)30(28,29)18-20-7-3-2-4-8-20/h2-10,19H,11-18H2,1H3/p+1/t19-/m0/s1