2-[2-(10-azaniumyldecyl)-3H-benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-(10-azaniumyldecyl)-3H-benzimidazol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-(10-azaniumyldecyl)-3H-benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-(10-ammoniodecyl)-3H-benzimidazol-1-ium-1-yl]acetate IUPAC Name: 2-[2-(10-azaniumyldecyl)-3H-benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-(10-ammoniodecyl)-3H-benzimidazol-1-ium-1-yl]acetate Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)[O-])CCCCCCCCCC[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)[O-])CCCCCCCCCC[NH3+]

InChI

InChI=1S/C19H29N3O2/c20-14-10-6-4-2-1-3-5-7-13-18-21-16-11-8-9-12-17(16)22(18)15-19(23)24/h8-9,11-12H,1-7,10,13-15,20H2,(H,23,24)/p+1