(3S)-1-[(5-ethylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(5-ethylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(5-ethyl-2-furyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(5-ethyl-2-furanyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(5-ethylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(5-ethyl-2-furyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

InChI

InChI=1S/C22H26N4O2/c1-2-19-9-10-20(28-19)15-26-13-3-4-17(14-26)22(27)24-18-7-5-16(6-8-18)21-11-12-23-25-21/h5-12,17H,2-4,13-15H2,1H3,(H,23,25)(H,24,27)/p+1/t17-/m0/s1