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

Systemtic Name: (3S)-1-[(2-azanylpyrimidin-5-yl)methyl]-N-[4-(furan-2-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-aminopyrimidin-5-yl)methyl]-N-[4-(2-furyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-amino-5-pyrimidinyl)methyl]-N-[4-(2-furanyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-aminopyrimidin-5-yl)methyl]-N-[4-(furan-2-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2-aminopyrimidin-5-yl)methyl]-N-[4-(2-furyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=C(N=C2)N)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=C(N=C2)N)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C21H23N5O2/c22-21-23-11-15(12-24-21)13-26-9-1-3-17(14-26)20(27)25-18-7-5-16(6-8-18)19-4-2-10-28-19/h2,4-8,10-12,17H,1,3,9,13-14H2,(H,25,27)(H2,22,23,24)/p+1/t17-/m0/s1