[(3S)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(4-methoxy-2-methyl-phenyl)methanone

Systemtic Name: [(3S)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(4-methoxy-2-methyl-phenyl)methanone Openeye Name: [(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(4-methoxy-2-methyl-phenyl)methanone CAS Name: [(3S)-1-[(2-amino-5-pyrimidinyl)methyl]-3-piperidin-1-iumyl]-(4-methoxy-2-methylphenyl)methanone IUPAC Name: [(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(4-methoxy-2-methylphenyl)methanone Traditional Name: [(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(4-methoxy-2-methyl-phenyl)methanone Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2CCC[NH+](C2)CC3=CN=C(N=C3)N

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)[C@H]2CCC[NH+](C2)CC3=CN=C(N=C3)N

InChI

InChI=1S/C19H24N4O2/c1-13-8-16(25-2)5-6-17(13)18(24)15-4-3-7-23(12-15)11-14-9-21-19(20)22-10-14/h5-6,8-10,15H,3-4,7,11-12H2,1-2H3,(H2,20,21,22)/p+1/t15-/m0/s1