ethyl 3-[(1-methylbenzimidazol-2-yl)methyl-(2-morpholin-4-ium-4-ylethyl)amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[(1-methylbenzimidazol-2-yl)methyl-(2-morpholin-4-ium-4-ylethyl)amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[(1-methylbenzimidazol-2-yl)methyl-(2-morpholin-4-ium-4-ylethyl)amino]-3-oxo-propanoate CAS Name: 3-[(1-methyl-2-benzimidazolyl)methyl-[2-(4-morpholin-4-iumyl)ethyl]amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[(1-methylbenzimidazol-2-yl)methyl-(2-morpholin-4-ium-4-ylethyl)amino]-3-oxopropanoate Traditional Name: 3-keto-3-[(1-methylbenzimidazol-2-yl)methyl-(2-morpholin-4-ium-4-ylethyl)amino]propionic acid ethyl ester Formula: C20H29N4O4+ MolecularWeight: 389.46866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N(CC[NH+]1CCOCC1)CC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CCOC(=O)CC(=O)N(CC[NH+]1CCOCC1)CC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C20H28N4O4/c1-3-28-20(26)14-19(25)24(9-8-23-10-12-27-13-11-23)15-18-21-16-6-4-5-7-17(16)22(18)2/h4-7H,3,8-15H2,1-2H3/p+1