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

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O/c1-19-9-5-6-15-28(19)16-8-14-26-24(30)22-18-29(21-11-3-2-4-12-21)27-23(22)20-10-7-13-25-17-20/h2-4,7,10-13,17-19H,5-6,8-9,14-16H2,1H3,(H,26,30)/p+1/t19-/m0/s1