2-[3-(tert-butylamino)-5-(4-methoxyphenyl)-1-propyl-pyrazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[3-(tert-butylamino)-5-(4-methoxyphenyl)-1-propyl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[3-(tert-butylamino)-5-(4-methoxyphenyl)-1-propyl-pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[3-(tert-butylamino)-5-(4-methoxyphenyl)-1-propyl-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[3-(tert-butylamino)-5-(4-methoxyphenyl)-1-propylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[3-(tert-butylamino)-5-(4-methoxyphenyl)-1-propyl-pyrazol-1-ium-1-yl]acetamide Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C(=CC(=N1)NC(C)(C)C)C2=CC=C(C=C2)OC)CC(=O)N

Isomeric SMILES

CCC[N+]1(C(=CC(=N1)NC(C)(C)C)C2=CC=C(C=C2)OC)CC(=O)N

InChI

InChI=1S/C19H28N4O2/c1-6-11-23(13-17(20)24)16(12-18(22-23)21-19(2,3)4)14-7-9-15(25-5)10-8-14/h7-10,12H,6,11,13H2,1-5H3,(H2-,20,21,22,24)/p+1