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

Systemtic Name: (2R)-2-[2-(10-azaniumyldecyl)-3H-benzimidazol-1-ium-1-yl]butanoate Openeye Name: (2R)-2-[2-(10-azaniumyldecyl)-3H-benzimidazol-1-ium-1-yl]butanoate CAS Name: (2R)-2-[2-(10-ammoniodecyl)-3H-benzimidazol-1-ium-1-yl]butanoate IUPAC Name: (2R)-2-[2-(10-azaniumyldecyl)-3H-benzimidazol-1-ium-1-yl]butanoate Traditional Name: (2R)-2-[2-(10-ammoniodecyl)-3H-benzimidazol-1-ium-1-yl]butyrate Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[N+]1=C(NC2=CC=CC=C21)CCCCCCCCCC[NH3+]

Isomeric SMILES

CC[C@H](C(=O)[O-])[N+]1=C(NC2=CC=CC=C21)CCCCCCCCCC[NH3+]

InChI

InChI=1S/C21H33N3O2/c1-2-18(21(25)26)24-19-14-11-10-13-17(19)23-20(24)15-9-7-5-3-4-6-8-12-16-22/h10-11,13-14,18H,2-9,12,15-16,22H2,1H3,(H,25,26)/p+1/t18-/m1/s1