1,3-benzodioxol-5-ylmethyl-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-[(2S)-2-hydroxypropyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-[(2S)-2-hydroxypropyl]azanium Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(2S)-2-hydroxypropyl]-piperonyl-ammonium Formula: C19H21ClNO5+ MolecularWeight: 378.82674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CC4=C(C=C3Cl)OCO4)O

Isomeric SMILES

C[C@@H](C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CC4=C(C=C3Cl)OCO4)O

InChI

InChI=1S/C19H20ClNO5/c1-12(22)7-21(8-13-2-3-16-17(4-13)24-10-23-16)9-14-5-18-19(6-15(14)20)26-11-25-18/h2-6,12,22H,7-11H2,1H3/p+1/t12-/m0/s1