1-(4-bromophenyl)-5-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]pyrazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-5-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-5-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-5-methyl-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-5-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]pyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-5-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]pyrazole-4-carboxamide Formula: C20H28BrN4O+ MolecularWeight: 420.36652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H27BrN4O/c1-15-8-12-24(13-9-15)11-3-10-22-20(26)19-14-23-25(16(19)2)18-6-4-17(21)5-7-18/h4-7,14-15H,3,8-13H2,1-2H3,(H,22,26)/p+1