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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-oxidanylpropyl]-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1-benzylbenzimidazol-2-yl)methyl]-[(2S)-2-hydroxypropyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxypropyl]-[[1-(phenylmethyl)-2-benzimidazolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1-benzylbenzimidazol-2-yl)methyl]-[(2S)-2-hydroxypropyl]azanium Traditional Name: (1-benzylbenzimidazol-2-yl)methyl-[(2S)-2-hydroxypropyl]-piperonyl-ammonium Formula: C26H28N3O3+ MolecularWeight: 430.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)O

Isomeric SMILES

C[C@@H](C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)O

InChI

InChI=1S/C26H27N3O3/c1-19(30)14-28(15-21-11-12-24-25(13-21)32-18-31-24)17-26-27-22-9-5-6-10-23(22)29(26)16-20-7-3-2-4-8-20/h2-13,19,30H,14-18H2,1H3/p+1/t19-/m0/s1