N-[[(3R)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-[[(3R)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[(3R)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[(3R)-1-[(2-amino-5-pyrimidinyl)methyl]-3-piperidin-1-iumyl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[(3R)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[(3R)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-naphthamide Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=C(N=C2)N)CNC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=C(N=C2)N)CNC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H25N5O/c23-22-25-12-17(13-26-22)15-27-10-4-5-16(14-27)11-24-21(28)20-9-3-7-18-6-1-2-8-19(18)20/h1-3,6-9,12-13,16H,4-5,10-11,14-15H2,(H,24,28)(H2,23,25,26)/p+1/t16-/m1/s1