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

Systemtic Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-morpholin-4-yl-propan-2-ol Openeye Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-morpholino-propan-2-ol CAS Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(4-morpholinyl)-2-propanol IUPAC Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-morpholin-4-ylpropan-2-ol Traditional Name: (2S)-1-morpholino-3-(4-piperonylpiperazin-4-ium-1-yl)propan-2-ol Formula: C19H30N3O4+ MolecularWeight: 364.4592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(CN4CCOCC4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C[C@@H](CN4CCOCC4)O

InChI

InChI=1S/C19H29N3O4/c23-17(14-22-7-9-24-10-8-22)13-21-5-3-20(4-6-21)12-16-1-2-18-19(11-16)26-15-25-18/h1-2,11,17,23H,3-10,12-15H2/p+1/t17-/m0/s1