methyl 2-[2-azanylidene-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]ethanoate bromide

Systemtic Name: methyl 2-[2-azanylidene-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]ethanoate bromide Openeye Name: methyl 2-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]acetate bromide CAS Name: 2-[2-imino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazolyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]acetate bromide Traditional Name: 2-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]acetic acid methyl ester bromide Formula: C16H23BrN4O3 MolecularWeight: 399.28282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2N(C1=N)CC[NH+]3CCOCC3.[Br-]

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2N(C1=N)CC[NH+]3CCOCC3.[Br-]

InChI

InChI=1S/C16H22N4O3.BrH/c1-22-15(21)12-20-14-5-3-2-4-13(14)19(16(20)17)7-6-18-8-10-23-11-9-18;/h2-5,17H,6-12H2,1H3;1H