N-[(1R,2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]methanesulfonamide

Systemtic Name: N-[(1R,2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]methanesulfonamide Openeye Name: N-[(1R,2R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]methanesulfonamide CAS Name: N-[(1R,2R)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-thiophen-2-ylpropan-2-yl]methanesulfonamide IUPAC Name: N-[(1R,2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide Traditional Name: N-[(1R,2R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]methanesulfonamide Formula: C19H28N3O2S2+ MolecularWeight: 394.57452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CC[NH+](CC2)CC3=CC=CC=C3)NS(=O)(=O)C

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)N2CC[NH+](CC2)CC3=CC=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C19H27N3O2S2/c1-16(20-26(2,23)24)19(18-9-6-14-25-18)22-12-10-21(11-13-22)15-17-7-4-3-5-8-17/h3-9,14,16,19-20H,10-13,15H2,1-2H3/p+1/t16-,19-/m1/s1