(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol Openeye Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-thienylmethoxy)propan-2-ol CAS Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(thiophen-2-ylmethoxy)-2-propanol IUPAC Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol Traditional Name: (2S)-1-(4-piperonylpiperazin-4-ium-1-yl)-3-(2-thenyloxy)propan-2-ol Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(COCC4=CC=CS4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C[C@@H](COCC4=CC=CS4)O

InChI

InChI=1S/C20H26N2O4S/c23-17(13-24-14-18-2-1-9-27-18)12-22-7-5-21(6-8-22)11-16-3-4-19-20(10-16)26-15-25-19/h1-4,9-10,17,23H,5-8,11-15H2/p+1/t17-/m0/s1