2-[4-[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[6-(3-bromophenyl)-2-methyl-pyridine-3-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[6-(3-bromophenyl)-2-methyl-nicotinoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C22H26BrN4O2+ MolecularWeight: 458.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C22H25BrN4O2/c1-15-19(7-8-20(24-15)16-3-2-4-17(23)13-16)22(29)27-11-9-26(10-12-27)14-21(28)25-18-5-6-18/h2-4,7-8,13,18H,5-6,9-12,14H2,1H3,(H,25,28)/p+1