1-[2-(2-chloranylphenoxy)ethyl]-3-(2-diethylaminoethyl)benzimidazol-3-ium-2-amine

Systemtic Name: 1-[2-(2-chloranylphenoxy)ethyl]-3-(2-diethylaminoethyl)benzimidazol-3-ium-2-amine Openeye Name: 1-[2-(2-chlorophenoxy)ethyl]-3-(2-diethylaminoethyl)benzimidazol-3-ium-2-amine CAS Name: 1-[2-(2-chlorophenoxy)ethyl]-3-(2-diethylaminoethyl)-2-benzimidazol-3-iumamine IUPAC Name: 1-[2-(2-chlorophenoxy)ethyl]-3-(2-diethylaminoethyl)benzimidazol-3-ium-2-amine Traditional Name: 2-[2-amino-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-1-ium-1-yl]ethyl-diethyl-amine Formula: C21H28ClN4O+ MolecularWeight: 387.92622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(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+1