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

Systemtic Name: (3S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCCC(C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC[C@@H](C3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-29-21-11-5-7-17(13-21)22-19(15-26-12-6-8-18(14-26)23(24)28)16-27(25-22)20-9-3-2-4-10-20/h2-5,7,9-11,13,16,18H,6,8,12,14-15H2,1H3,(H2,24,28)/p+1/t18-/m0/s1