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

Systemtic Name: [(3S)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [(3S)-1-[(2-amino-5-pyrimidinyl)methyl]-3-piperidin-1-iumyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CN=C(N=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CN=C(N=C3)N)OC

InChI

InChI=1S/C19H24N4O3/c1-25-16-6-5-14(8-17(16)26-2)18(24)15-4-3-7-23(12-15)11-13-9-21-19(20)22-10-13/h5-6,8-10,15H,3-4,7,11-12H2,1-2H3,(H2,20,21,22)/p+1/t15-/m0/s1