2-[2-azanyl-3-[(2S)-2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanyl-3-[(2S)-2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-1-benzimidazol-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]benzimidazol-3-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-3-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium Formula: C22H30N4O3+2 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)C[C@H](C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H28N4O3/c1-3-24(4-2)11-12-25-17-7-5-6-8-18(17)26(22(25)23)14-19(27)16-9-10-20-21(13-16)29-15-28-20/h5-10,13,19,23,27H,3-4,11-12,14-15H2,1-2H3/p+2/t19-/m1/s1