4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide

Systemtic Name: 4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide Openeye Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide CAS Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(4-morpholin-4-iumyl)propyl]butanamide IUPAC Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butanamide Traditional Name: 4-(3-keto-6-methyl-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ium-4-ylpropyl)butyramide Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H29N3O4/c1-16-5-6-18-17(14-16)23(20(25)15-27-18)9-2-4-19(24)21-7-3-8-22-10-12-26-13-11-22/h5-6,14H,2-4,7-13,15H2,1H3,(H,21,24)/p+1