(2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol Openeye Name: (2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-(2-thienylmethoxy)propan-2-ol CAS Name: (2R)-1-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-3-(thiophen-2-ylmethoxy)-2-propanol IUPAC Name: (2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol Traditional Name: (2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-(2-thenyloxy)propan-2-ol Formula: C20H29N2O2S+ MolecularWeight: 361.52146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(COCC3=CC=CS3)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C[C@H](COCC3=CC=CS3)O)C

InChI

InChI=1S/C20H28N2O2S/c1-16-5-3-7-20(17(16)2)22-10-8-21(9-11-22)13-18(23)14-24-15-19-6-4-12-25-19/h3-7,12,18,23H,8-11,13-15H2,1-2H3/p+1/t18-/m1/s1