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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ethanesulfonamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ethanesulfonamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ethanesulfonamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ethanesulfonamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ethanesulfonamide Formula: C17H31N4O2S+ MolecularWeight: 355.51864

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NCC(C1=CC=C(C=C1)N(C)C)N2CC[NH+](CC2)C

Isomeric SMILES

CCS(=O)(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)N2CC[NH+](CC2)C

InChI

InChI=1S/C17H30N4O2S/c1-5-24(22,23)18-14-17(21-12-10-20(4)11-13-21)15-6-8-16(9-7-15)19(2)3/h6-9,17-18H,5,10-14H2,1-4H3/p+1/t17-/m1/s1