methyl 2-[4-[2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetyl]phenoxy]acetate CAS Name: 2-[4-[2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-1-oxoethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetyl]phenoxy]acetic acid methyl ester Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC

InChI

InChI=1S/C22H25N3O4/c1-3-4-13-24-18-7-5-6-8-19(18)25(22(24)23)14-20(26)16-9-11-17(12-10-16)29-15-21(27)28-2/h5-12,23H,3-4,13-15H2,1-2H3/p+1