N-oxidanyl-4-(1-oxidanyl-1-phenyl-4-pyrrolidin-1-yl-but-2-ynyl)benzeneamine oxide

Systemtic Name: N-oxidanyl-4-(1-oxidanyl-1-phenyl-4-pyrrolidin-1-yl-but-2-ynyl)benzeneamine oxide Openeye Name: N-hydroxy-4-(1-hydroxy-1-phenyl-4-pyrrolidin-1-yl-but-2-ynyl)benzeneamine oxide CAS Name: N-hydroxy-4-[1-hydroxy-1-phenyl-4-(1-pyrrolidinyl)but-2-ynyl]benzeneamine oxide IUPAC Name: N-hydroxy-4-(1-hydroxy-1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)benzeneamine oxide Traditional Name: N-hydroxy-4-(1-hydroxy-1-phenyl-4-pyrrolidino-but-2-ynyl)benzeneamine oxide Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=C(C=C3)[NH+](O)[O-])O

Isomeric SMILES

C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=C(C=C3)[NH+](O)[O-])O

InChI

InChI=1S/C20H22N2O3/c23-20(17-7-2-1-3-8-17,13-6-16-21-14-4-5-15-21)18-9-11-19(12-10-18)22(24)25/h1-3,7-12,22-24H,4-5,14-16H2