1-[(3R)-3-[[(2-azanyl-6-methyl-pyrimidin-3-ium-4-yl)amino]methyl]piperidin-1-yl]ethanone

Systemtic Name: 1-[(3R)-3-[[(2-azanyl-6-methyl-pyrimidin-3-ium-4-yl)amino]methyl]piperidin-1-yl]ethanone Openeye Name: 1-[(3R)-3-[[(2-amino-6-methyl-pyrimidin-3-ium-4-yl)amino]methyl]-1-piperidyl]ethanone CAS Name: 1-[(3R)-3-[[(2-amino-6-methyl-4-pyrimidin-3-iumyl)amino]methyl]-1-piperidinyl]ethanone IUPAC Name: 1-[(3R)-3-[[(2-amino-6-methylpyrimidin-3-ium-4-yl)amino]methyl]piperidin-1-yl]ethanone Traditional Name: 1-[(3R)-3-[[(2-amino-6-methyl-pyrimidin-3-ium-4-yl)amino]methyl]piperidino]ethanone Formula: C13H22N5O+ MolecularWeight: 264.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N)NCC2CCCN(C2)C(=O)C

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N)NC[C@H]2CCCN(C2)C(=O)C

InChI

InChI=1S/C13H21N5O/c1-9-6-12(17-13(14)16-9)15-7-11-4-3-5-18(8-11)10(2)19/h6,11H,3-5,7-8H2,1-2H3,(H3,14,15,16,17)/p+1/t11-/m1/s1