1,3-benzodioxol-5-ylmethyl-[(3,4-dichlorophenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3,4-dichlorophenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3,4-dichlorophenyl)methyl]-[(2S)-2-hydroxypropyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3,4-dichlorophenyl)methyl]-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3,4-dichlorophenyl)methyl]-[(2S)-2-hydroxypropyl]azanium Traditional Name: (3,4-dichlorobenzyl)-[(2S)-2-hydroxypropyl]-piperonyl-ammonium Formula: C18H20Cl2NO3+ MolecularWeight: 369.2623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CC(=C(C=C3)Cl)Cl)O

Isomeric SMILES

C[C@@H](C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C18H19Cl2NO3/c1-12(22)8-21(9-13-2-4-15(19)16(20)6-13)10-14-3-5-17-18(7-14)24-11-23-17/h2-7,12,22H,8-11H2,1H3/p+1/t12-/m0/s1