[(3S)-1-(2-azanyl-6-methoxy-pyrimidin-1-ium-4-yl)piperidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-1-(2-azanyl-6-methoxy-pyrimidin-1-ium-4-yl)piperidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-(2-amino-6-methoxy-pyrimidin-1-ium-4-yl)-3-piperidyl]-dimethyl-ammonium CAS Name: [(3S)-1-(2-amino-6-methoxy-4-pyrimidin-1-iumyl)-3-piperidinyl]-dimethylammonium IUPAC Name: [(3S)-1-(2-amino-6-methoxypyrimidin-1-ium-4-yl)piperidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-(2-amino-6-methoxy-pyrimidin-1-ium-4-yl)-3-piperidyl]-dimethyl-ammonium Formula: C12H23N5O+2 MolecularWeight: 253.34392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCCN(C1)C2=CC(=[NH+]C(=N2)N)OC

Isomeric SMILES

C[NH+](C)[C@H]1CCCN(C1)C2=CC(=[NH+]C(=N2)N)OC

InChI

InChI=1S/C12H21N5O/c1-16(2)9-5-4-6-17(8-9)10-7-11(18-3)15-12(13)14-10/h7,9H,4-6,8H2,1-3H3,(H2,13,14,15)/p+2/t9-/m0/s1