2-[2-azanyl-3-[(2R)-2-oxidanyl-3-phenoxy-propyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanyl-3-[(2R)-2-oxidanyl-3-phenoxy-propyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-[(2R)-2-hydroxy-3-phenoxy-propyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-[(2R)-2-hydroxy-3-phenoxypropyl]-1-benzimidazol-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-[(2R)-2-hydroxy-3-phenoxypropyl]benzimidazol-3-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-3-[(2R)-2-hydroxy-3-phenoxy-propyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium Formula: C22H32N4O2+2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C22H30N4O2/c1-3-24(4-2)14-15-25-20-12-8-9-13-21(20)26(22(25)23)16-18(27)17-28-19-10-6-5-7-11-19/h5-13,18,23,27H,3-4,14-17H2,1-2H3/p+2/t18-/m1/s1