[(3S)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: [(3S)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-pyrrolidinyl]-dimethylammonium IUPAC Name: [(3S)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C16H22N5O+ MolecularWeight: 300.37878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCN(C1)C2=NC(=CN=N2)C3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](C)[C@H]1CCN(C1)C2=NC(=CN=N2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C16H21N5O/c1-20(2)13-7-8-21(11-13)16-18-15(10-17-19-16)12-5-4-6-14(9-12)22-3/h4-6,9-10,13H,7-8,11H2,1-3H3/p+1/t13-/m0/s1