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

Systemtic Name: [(3S)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(2-amino-5-pyrimidinyl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2/c1-24-16-6-2-4-14(8-16)17(23)15-5-3-7-22(12-15)11-13-9-20-18(19)21-10-13/h2,4,6,8-10,15H,3,5,7,11-12H2,1H3,(H2,19,20,21)/p+1/t15-/m0/s1