N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-phenyl-pyrazole-4-carboxamide Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H26N4O/c1-16-8-5-6-12-22(16)13-7-11-20-19(24)17-14-21-23(15-17)18-9-3-2-4-10-18/h2-4,9-10,14-16H,5-8,11-13H2,1H3,(H,20,24)/p+1/t16-/m0/s1