(3S)-1-[(2-azanylpyrimidin-5-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-azanylpyrimidin-5-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-aminopyrimidin-5-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-amino-5-pyrimidinyl)methyl]-N-[4-(3-methoxyphenyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-aminopyrimidin-5-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2-aminopyrimidin-5-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CC4=CN=C(N=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+](C3)CC4=CN=C(N=C4)N

InChI

InChI=1S/C24H27N5O2/c1-31-22-6-2-4-19(12-22)18-7-9-21(10-8-18)28-23(30)20-5-3-11-29(16-20)15-17-13-26-24(25)27-14-17/h2,4,6-10,12-14,20H,3,5,11,15-16H2,1H3,(H,28,30)(H2,25,26,27)/p+1/t20-/m0/s1