methyl 4-[2-oxidanyl-3-(2-propyl-3H-benzimidazol-1-ium-1-yl)propoxy]benzoate

Systemtic Name: methyl 4-[2-oxidanyl-3-(2-propyl-3H-benzimidazol-1-ium-1-yl)propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-(2-propyl-3H-benzimidazol-1-ium-1-yl)propoxy]benzoate CAS Name: 4-[2-hydroxy-3-(2-propyl-3H-benzimidazol-1-ium-1-yl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-(2-propyl-3H-benzimidazol-1-ium-1-yl)propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(2-propyl-3H-benzimidazol-1-ium-1-yl)propoxy]benzoic acid methyl ester Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2N1)CC(COC3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2N1)CC(COC3=CC=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C21H24N2O4/c1-3-6-20-22-18-7-4-5-8-19(18)23(20)13-16(24)14-27-17-11-9-15(10-12-17)21(25)26-2/h4-5,7-12,16,24H,3,6,13-14H2,1-2H3/p+1