N-[(4-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]-1-propyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: N-[(4-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]-1-propyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[hydroxy-(4-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]-1-propyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[hydroxy-(4-methyl-1-oxido-2-pyridin-1-iumyl)methyl]-1-propyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[hydroxy-(4-methyl-1-oxidopyridin-1-ium-2-yl)methyl]-1-propyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[hydroxy-(4-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]-1-propyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C28H28F3N3O3 MolecularWeight: 511.53543

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(=CC2=CC=CC=C21)C(=O)N(C3=CC=CC(=C3)C(F)(F)F)C(C4=[N+](C=CC(=C4)C)[O-])O

Isomeric SMILES

CCCN1CCC(=CC2=CC=CC=C21)C(=O)N(C3=CC=CC(=C3)C(F)(F)F)C(C4=[N+](C=CC(=C4)C)[O-])O

InChI

InChI=1S/C28H28F3N3O3/c1-3-13-32-14-12-21(17-20-7-4-5-10-24(20)32)26(35)34(23-9-6-8-22(18-23)28(29,30)31)27(36)25-16-19(2)11-15-33(25)37/h4-11,15-18,27,36H,3,12-14H2,1-2H3