2-[2-azanyl-3-[2-(2-chloranylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanyl-3-[2-(2-chloranylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-1-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-[2-(2-chlorophenoxy)ethyl]-1-benzimidazol-1-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-1-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-1-ium-1-yl]ethyl-diethyl-ammonium Formula: C21H29ClN4O+2 MolecularWeight: 388.93416

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3Cl)N

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3Cl)N

InChI

InChI=1S/C21H27ClN4O/c1-3-24(4-2)13-14-25-18-10-6-7-11-19(18)26(21(25)23)15-16-27-20-12-8-5-9-17(20)22/h5-12,23H,3-4,13-16H2,1-2H3/p+2