5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]pyrimidin-2-amine

Systemtic Name: 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]pyrimidin-2-amine Openeye Name: 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]pyrimidin-2-amine CAS Name: 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[2-[(3R)-3-phenyl-1-pyrrolidin-1-iumyl]ethyl]-2-pyrimidinamine IUPAC Name: 5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]pyrimidin-2-amine Traditional Name: [5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]amine Formula: C20H26N7+ MolecularWeight: 364.46734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=NC=NN2C)NCC[NH+]3CCC(C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2=NC=NN2C)NCC[NH+]3CC[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N7/c1-15-12-22-20(25-18(15)19-23-14-24-26(19)2)21-9-11-27-10-8-17(13-27)16-6-4-3-5-7-16/h3-7,12,14,17H,8-11,13H2,1-2H3,(H,21,22,25)/p+1/t17-/m0/s1