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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCC(CC3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCC(CC3)C(=O)N)C4=CC=CC=C4

InChI

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