6-chloranyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C22H26ClN2O4+ MolecularWeight: 417.90584

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4)Cl)OC1

InChI

InChI=1S/C22H25ClN2O4/c23-19-12-18(13-20-21(19)29-9-3-8-28-20)22(26)24-14-16-4-1-2-5-17(16)15-25-6-10-27-11-7-25/h1-2,4-5,12-13H,3,6-11,14-15H2,(H,24,26)/p+1