2-[2-azanyl-3-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanyl-3-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1-benzimidazol-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzimidazol-3-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-3-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium Formula: C23H34N4O3+2 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O3/c1-4-25(5-2)14-15-26-21-8-6-7-9-22(21)27(23(26)24)16-18(28)17-30-20-12-10-19(29-3)11-13-20/h6-13,18,24,28H,4-5,14-17H2,1-3H3/p+2/t18-/m1/s1