(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H24N4O/c23-22(27)18-10-7-13-25(14-18)15-19-16-26(20-11-5-2-6-12-20)24-21(19)17-8-3-1-4-9-17/h1-6,8-9,11-12,16,18H,7,10,13-15H2,(H2,23,27)/p+1/t18-/m1/s1