N-(5-chloranyl-2-methoxy-phenyl)-2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)-methyl-amino]ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)-methyl-amino]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)-methyl-amino]acetamide CAS Name: 2-[[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-5-ium-2-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)-methylamino]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(4,6-dipyrrolidino-s-triazin-5-ium-2-yl)-methyl-amino]acetamide Formula: C21H29ClN7O2+ MolecularWeight: 446.95366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C2=NC(=[NH+]C(=N2)N3CCCC3)N4CCCC4

Isomeric SMILES

CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C2=NC(=[NH+]C(=N2)N3CCCC3)N4CCCC4

InChI

InChI=1S/C21H28ClN7O2/c1-27(14-18(30)23-16-13-15(22)7-8-17(16)31-2)19-24-20(28-9-3-4-10-28)26-21(25-19)29-11-5-6-12-29/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,23,30)/p+1