4-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N,N-dimethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-N,N-dimethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Formula: C18H29N4O3S+ MolecularWeight: 381.51286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3S/c1-15(20-11-13-21(14-12-20)26(24,25)19(2)3)18(23)22-10-6-8-16-7-4-5-9-17(16)22/h4-5,7,9,15H,6,8,10-14H2,1-3H3/p+1/t15-/m0/s1