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

Systemtic Name: methyl 2-[4-[2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetyl]phenoxy]acetate CAS Name: 2-[4-[2-(2-amino-3-propyl-1-benzimidazol-1-iumyl)-1-oxoethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(2-amino-3-propylbenzimidazol-1-ium-1-yl)acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetyl]phenoxy]acetic acid methyl ester Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)OCC(=O)OC

InChI

InChI=1S/C21H23N3O4/c1-3-12-23-17-6-4-5-7-18(17)24(21(23)22)13-19(25)15-8-10-16(11-9-15)28-14-20(26)27-2/h4-11,22H,3,12-14H2,1-2H3/p+1