N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3S)-tetrahydrofuran-3-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-[[(3S)-3-oxolanyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3S)-tetrahydrofuran-3-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4CCOC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)C[C@@H]4CCOC4)C

InChI

InChI=1S/C22H30N4O2/c1-16-13-17(2)26(24-16)21-5-3-20(4-6-21)23-22(27)19-7-10-25(11-8-19)14-18-9-12-28-15-18/h3-6,13,18-19H,7-12,14-15H2,1-2H3,(H,23,27)/p+1/t18-/m0/s1