N-[(1R,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]ethanesulfonamide

Systemtic Name: N-[(1R,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]ethanesulfonamide Openeye Name: N-[(1R,2R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]ethanesulfonamide CAS Name: N-[(1R,2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide IUPAC Name: N-[(1R,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide Traditional Name: N-[(1R,2R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]ethanesulfonamide Formula: C14H26N3O2S2+ MolecularWeight: 332.50514

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(C)C(C1=CC=CS1)N2CC[NH+](CC2)C

Isomeric SMILES

CCS(=O)(=O)N[C@H](C)[C@H](C1=CC=CS1)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H25N3O2S2/c1-4-21(18,19)15-12(2)14(13-6-5-11-20-13)17-9-7-16(3)8-10-17/h5-6,11-12,14-15H,4,7-10H2,1-3H3/p+1/t12-,14-/m1/s1