N-methyl-2-(1-oxidanidylpyridin-1-ium-2-yl)-3-oxidanyl-N-phenyl-1-propyl-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: N-methyl-2-(1-oxidanidylpyridin-1-ium-2-yl)-3-oxidanyl-N-phenyl-1-propyl-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 3-hydroxy-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)-N-phenyl-1-propyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 3-hydroxy-N-methyl-2-(1-oxido-2-pyridin-1-iumyl)-N-phenyl-1-propyl-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 3-hydroxy-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)-N-phenyl-1-propyl-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 3-hydroxy-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)-N-phenyl-1-propyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C(=CC2=CC=CC=C21)C(=O)N(C)C3=CC=CC=C3)O)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

CCCN1C(C(C(=CC2=CC=CC=C21)C(=O)N(C)C3=CC=CC=C3)O)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C26H27N3O3/c1-3-16-28-22-14-8-7-11-19(22)18-21(26(31)27(2)20-12-5-4-6-13-20)25(30)24(28)23-15-9-10-17-29(23)32/h4-15,17-18,24-25,30H,3,16H2,1-2H3