N-(2-bromoethyl)-2-methyl-3-(2-methyl-2-oxidanyl-5-phenyl-pyrazol-2-ium-3-yl)propanamide

Systemtic Name: N-(2-bromoethyl)-2-methyl-3-(2-methyl-2-oxidanyl-5-phenyl-pyrazol-2-ium-3-yl)propanamide Openeye Name: N-(2-bromoethyl)-3-(2-hydroxy-2-methyl-5-phenyl-pyrazol-2-ium-3-yl)-2-methyl-propanamide CAS Name: N-(2-bromoethyl)-3-(2-hydroxy-2-methyl-5-phenyl-3-pyrazol-2-iumyl)-2-methylpropanamide IUPAC Name: N-(2-bromoethyl)-3-(2-hydroxy-2-methyl-5-phenylpyrazol-2-ium-3-yl)-2-methylpropanamide Traditional Name: N-(2-bromoethyl)-3-(2-hydroxy-2-methyl-5-phenyl-pyrazol-2-ium-3-yl)-2-methyl-propionamide Formula: C16H21BrN3O2+ MolecularWeight: 367.26084

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=N[N+]1(C)O)C2=CC=CC=C2)C(=O)NCCBr

Isomeric SMILES

CC(CC1=CC(=N[N+]1(C)O)C2=CC=CC=C2)C(=O)NCCBr

InChI

InChI=1S/C16H20BrN3O2/c1-12(16(21)18-9-8-17)10-14-11-15(19-20(14,2)22)13-6-4-3-5-7-13/h3-7,11-12,22H,8-10H2,1-2H3/p+1