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

Systemtic Name: N-[(1-oxidanidyl-3-propoxy-pyridin-1-ium-2-yl)-oxidanyl-methyl]-N-phenyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[hydroxy-(1-oxido-3-propoxy-pyridin-1-ium-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-[hydroxy-(1-oxido-3-propoxy-2-pyridin-1-iumyl)methyl]-N-phenyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[hydroxy-(1-oxido-3-propoxypyridin-1-ium-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[hydroxy-(1-oxido-3-propoxy-pyridin-1-ium-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C([N+](=CC=C1)[O-])C(N(C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4NCC3)O

Isomeric SMILES

CCCOC1=C([N+](=CC=C1)[O-])C(N(C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4NCC3)O

InChI

InChI=1S/C26H27N3O4/c1-2-17-33-23-13-8-16-28(32)24(23)26(31)29(21-10-4-3-5-11-21)25(30)20-14-15-27-22-12-7-6-9-19(22)18-20/h3-13,16,18,26-27,31H,2,14-15,17H2,1H3