N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-N-methyl-4-(1-pyrrolidin-1-iumylmethyl)benzamide IUPAC Name: N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Formula: C29H30ClN4O+ MolecularWeight: 486.0277

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C[NH+]5CCCC5

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C[NH+]5CCCC5

InChI

InChI=1S/C29H29ClN4O/c1-32(29(35)24-11-9-22(10-12-24)19-33-17-5-6-18-33)20-25-21-34(27-7-3-2-4-8-27)31-28(25)23-13-15-26(30)16-14-23/h2-4,7-16,21H,5-6,17-20H2,1H3/p+1