N-[(Z)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide

Systemtic Name: N-[(Z)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C20H21BrN3O4+ MolecularWeight: 447.30244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NN=CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)N/N=C\C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C20H20BrN3O4/c21-17-10-19-18(27-13-28-19)9-16(17)11-22-23-20(25)15-3-1-14(2-4-15)12-24-5-7-26-8-6-24/h1-4,9-11H,5-8,12-13H2,(H,23,25)/p+1/b22-11-