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

Systemtic Name: (3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-ethyl-5-pyrimidinyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

Isomeric SMILES

CCC1=NC=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

InChI

InChI=1S/C22H26N6O/c1-2-21-23-12-16(13-24-21)14-28-11-3-4-18(15-28)22(29)26-19-7-5-17(6-8-19)20-9-10-25-27-20/h5-10,12-13,18H,2-4,11,14-15H2,1H3,(H,25,27)(H,26,29)/p+1/t18-/m0/s1