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

Systemtic Name: (3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C23H24N4O3/c24-23(28)17-5-4-10-26(12-17)13-18-14-27(19-6-2-1-3-7-19)25-22(18)16-8-9-20-21(11-16)30-15-29-20/h1-3,6-9,11,14,17H,4-5,10,12-13,15H2,(H2,24,28)/p+1/t17-/m0/s1