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

Systemtic Name: 2-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-oxidanyl-propoxy]-N-phenyl-benzamide Openeye Name: 2-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-hydroxy-propoxy]-N-phenyl-benzamide CAS Name: 2-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-hydroxypropoxy]-N-phenylbenzamide IUPAC Name: 2-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-hydroxypropoxy]-N-phenylbenzamide Traditional Name: 2-[3-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-hydroxy-propoxy]-N-phenyl-benzamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/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)/p+1