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

Systemtic Name: N-[(1R,2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]ethanesulfonamide Openeye Name: N-[(1R,2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]ethanesulfonamide CAS Name: N-[(1R,2R)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide IUPAC Name: N-[(1R,2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide Traditional Name: N-[(1R,2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]ethanesulfonamide Formula: C20H30N3O3S2+ MolecularWeight: 424.6005

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(C)C(C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCS(=O)(=O)N[C@H](C)[C@H](C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H29N3O3S2/c1-4-28(24,25)21-16(2)20(19-6-5-15-27-19)23-13-11-22(12-14-23)17-7-9-18(26-3)10-8-17/h5-10,15-16,20-21H,4,11-14H2,1-3H3/p+1/t16-,20-/m1/s1