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

Systemtic Name: methyl 2-[4-[2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)acetyl]phenoxy]acetate CAS Name: 2-[4-[2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)-1-oxoethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)acetyl]phenoxy]acetic acid methyl ester Formula: C21H22N3O4+ MolecularWeight: 380.41708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC=C)N

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC=C)N

InChI

InChI=1S/C21H21N3O4/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/h3-11,22H,1,12-14H2,2H3/p+1