N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]methanesulfonamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]methanesulfonamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]methanesulfonamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]methanesulfonamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]methanesulfonamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]methanesulfonamide Formula: C16H29N4O2S+ MolecularWeight: 341.49206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNS(=O)(=O)C)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C16H28N4O2S/c1-18(2)15-7-5-14(6-8-15)16(13-17-23(4,21)22)20-11-9-19(3)10-12-20/h5-8,16-17H,9-13H2,1-4H3/p+1/t16-/m1/s1