[(3S)-1-(4-azanyl-5-methyl-pyrimidin-1-ium-2-yl)piperidin-3-yl]-pyridin-3-yl-methanone

Systemtic Name: [(3S)-1-(4-azanyl-5-methyl-pyrimidin-1-ium-2-yl)piperidin-3-yl]-pyridin-3-yl-methanone Openeye Name: [(3S)-1-(4-amino-5-methyl-pyrimidin-1-ium-2-yl)-3-piperidyl]-(3-pyridyl)methanone CAS Name: [(3S)-1-(4-amino-5-methyl-2-pyrimidin-1-iumyl)-3-piperidinyl]-(3-pyridinyl)methanone IUPAC Name: [(3S)-1-(4-amino-5-methylpyrimidin-1-ium-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone Traditional Name: [(3S)-1-(4-amino-5-methyl-pyrimidin-1-ium-2-yl)-3-piperidyl]-(3-pyridyl)methanone Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N=C1N)N2CCCC(C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=C[NH+]=C(N=C1N)N2CCC[C@@H](C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H19N5O/c1-11-8-19-16(20-15(11)17)21-7-3-5-13(10-21)14(22)12-4-2-6-18-9-12/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H2,17,19,20)/p+1/t13-/m0/s1