N-(2-morpholin-4-ium-4-ylethyl)-3-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-3-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]benzamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-3-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide Traditional Name: 3-[(3-keto-1,4-benzoxazin-4-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC(=CC=C2)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC(=CC=C2)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O4/c26-21-16-29-20-7-2-1-6-19(20)25(21)15-17-4-3-5-18(14-17)22(27)23-8-9-24-10-12-28-13-11-24/h1-7,14H,8-13,15-16H2,(H,23,27)/p+1