(2S)-1-(azocan-1-ium-1-yl)-3-(1,3-benzodioxol-5-ylmethoxy)propan-2-ol

Systemtic Name: (2S)-1-(azocan-1-ium-1-yl)-3-(1,3-benzodioxol-5-ylmethoxy)propan-2-ol Openeye Name: (2S)-1-(azocan-1-ium-1-yl)-3-(1,3-benzodioxol-5-ylmethoxy)propan-2-ol CAS Name: (2S)-1-(1-azocan-1-iumyl)-3-(1,3-benzodioxol-5-ylmethoxy)-2-propanol IUPAC Name: (2S)-1-(azocan-1-ium-1-yl)-3-(1,3-benzodioxol-5-ylmethoxy)propan-2-ol Traditional Name: (2S)-1-(azocan-1-ium-1-yl)-3-piperonyloxy-propan-2-ol Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(COCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C1CCC[NH+](CCC1)C[C@@H](COCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H27NO4/c20-16(11-19-8-4-2-1-3-5-9-19)13-21-12-15-6-7-17-18(10-15)23-14-22-17/h6-7,10,16,20H,1-5,8-9,11-14H2/p+1/t16-/m0/s1