(3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[[1-(2-methoxyphenyl)-4-pyrazolyl]methyl]-1-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3OC

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C18H24N4O2/c1-21-9-5-6-15(13-21)18(23)19-10-14-11-20-22(12-14)16-7-3-4-8-17(16)24-2/h3-4,7-8,11-12,15H,5-6,9-10,13H2,1-2H3,(H,19,23)/p+1/t15-/m0/s1