2-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-oxidanyl-propoxy]-N-phenyl-benzamide chloride

Systemtic Name: 2-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-oxidanyl-propoxy]-N-phenyl-benzamide chloride Openeye Name: 2-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-hydroxy-propoxy]-N-phenyl-benzamide chloride CAS Name: 2-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-hydroxypropoxy]-N-phenylbenzamide chloride IUPAC Name: 2-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-hydroxypropoxy]-N-phenylbenzamide chloride Traditional Name: 2-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-hydroxy-propoxy]-N-phenyl-benzamide chloride Formula: C21H24ClN3O3 MolecularWeight: 401.88656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)CC(COC2=CC=CC=C2C(=O)NC3=CC=CC=C3)O)C.[Cl-]

Isomeric SMILES

CC1=CC(=[N+](N1)CC(COC2=CC=CC=C2C(=O)NC3=CC=CC=C3)O)C.[Cl-]

InChI

InChI=1S/C21H23N3O3.ClH/c1-15-12-16(2)24(23-15)13-18(25)14-27-20-11-7-6-10-19(20)21(26)22-17-8-4-3-5-9-17;/h3-12,18,25H,13-14H2,1-2H3,(H,22,26);1H