N-[(4-tert-butylphenyl)methyl]-4-chloranyl-5-ethyl-2-methyl-pyrazol-2-ium-1-carboxamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-4-chloranyl-5-ethyl-2-methyl-pyrazol-2-ium-1-carboxamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methyl-pyrazol-2-ium-1-carboxamide CAS Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methyl-1-pyrazol-2-iumcarboxamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazol-2-ium-1-carboxamide Traditional Name: N-(4-tert-butylbenzyl)-4-chloro-5-ethyl-2-methyl-pyrazol-2-ium-1-carboxamide Formula: C18H25ClN3O+ MolecularWeight: 334.8636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=[N+](N1C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C)Cl

Isomeric SMILES

CCC1=C(C=[N+](N1C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C)Cl

InChI

InChI=1S/C18H24ClN3O/c1-6-16-15(19)12-21(5)22(16)17(23)20-11-13-7-9-14(10-8-13)18(2,3)4/h7-10,12H,6,11H2,1-5H3/p+1