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

Systemtic Name: (3S)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[4-(3,5-dimethylpyrazol-1-yl)benzyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C[NH+]3CCCC(C3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O/c1-18-15-19(2)28(26-18)23-12-10-20(11-13-23)16-27-14-6-7-21(17-27)24(29)25-22-8-4-3-5-9-22/h3-5,8-13,15,21H,6-7,14,16-17H2,1-2H3,(H,25,29)/p+1/t21-/m0/s1