(2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]-3-veratryloxy-propan-2-ol Formula: C20H29N2O6S2+ MolecularWeight: 457.58406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COCC(C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC[C@H](C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)O)OC

InChI

InChI=1S/C20H28N2O6S2/c1-26-18-6-5-16(12-19(18)27-2)14-28-15-17(23)13-21-7-9-22(10-8-21)30(24,25)20-4-3-11-29-20/h3-6,11-12,17,23H,7-10,13-15H2,1-2H3/p+1/t17-/m0/s1