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

Systemtic Name: 2-[2-azanyl-3-[3-(2-chloranylphenoxy)propyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-[3-(2-chlorophenoxy)propyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-[3-(2-chlorophenoxy)propyl]-1-benzimidazol-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-[3-(2-chlorophenoxy)propyl]benzimidazol-3-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-3-[3-(2-chlorophenoxy)propyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium Formula: C22H31ClN4O+2 MolecularWeight: 402.96074

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)CCCOC3=CC=CC=C3Cl

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2[N+](=C1N)CCCOC3=CC=CC=C3Cl

InChI

InChI=1S/C22H29ClN4O/c1-3-25(4-2)15-16-27-20-12-7-6-11-19(20)26(22(27)24)14-9-17-28-21-13-8-5-10-18(21)23/h5-8,10-13,24H,3-4,9,14-17H2,1-2H3/p+2