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

Systemtic Name: N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CC[NH+](CC1)CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1CC[NH+](CC1)CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-4-30(5-2)27(32)21-14-16-29(17-15-21)19-23-20-31(24-11-7-6-8-12-24)28-26(23)22-10-9-13-25(18-22)33-3/h6-13,18,20-21H,4-5,14-17,19H2,1-3H3/p+1