N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-[(2-ethyl-5-pyrimidinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C24H31N6O+ MolecularWeight: 419.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C24H30N6O/c1-4-23-25-14-19(15-26-23)16-29-11-9-20(10-12-29)24(31)27-21-5-7-22(8-6-21)30-18(3)13-17(2)28-30/h5-8,13-15,20H,4,9-12,16H2,1-3H3,(H,27,31)/p+1