2-[2-azanyl-3-[3-(2-chloranylphenoxy)propyl]benzimidazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[2-azanyl-3-[3-(2-chloranylphenoxy)propyl]benzimidazol-1-ium-1-yl]ethanamide Openeye Name: 2-[2-amino-3-[3-(2-chlorophenoxy)propyl]benzimidazol-1-ium-1-yl]acetamide CAS Name: 2-[2-amino-3-[3-(2-chlorophenoxy)propyl]-1-benzimidazol-1-iumyl]acetamide IUPAC Name: 2-[2-amino-3-[3-(2-chlorophenoxy)propyl]benzimidazol-1-ium-1-yl]acetamide Traditional Name: 2-[2-amino-3-[3-(2-chlorophenoxy)propyl]benzimidazol-1-ium-1-yl]acetamide Formula: C18H20ClN4O2+ MolecularWeight: 359.83

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=[N+]2CC(=O)N)N)CCCOC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=[N+]2CC(=O)N)N)CCCOC3=CC=CC=C3Cl

InChI

InChI=1S/C18H19ClN4O2/c19-13-6-1-4-9-16(13)25-11-5-10-22-14-7-2-3-8-15(14)23(18(22)21)12-17(20)24/h1-4,6-9,21H,5,10-12H2,(H2,20,24)/p+1