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

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-[(2-methyl-5-pyrimidinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CN=C(N=C4)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CN=C(N=C4)C)C

InChI

InChI=1S/C23H28N6O/c1-16-12-17(2)29(27-16)22-6-4-21(5-7-22)26-23(30)20-8-10-28(11-9-20)15-19-13-24-18(3)25-14-19/h4-7,12-14,20H,8-11,15H2,1-3H3,(H,26,30)/p+1