N-[2-(azepan-1-ium-1-yl)ethyl]-2-(2-ethyl-6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(2-ethyl-6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(2-ethyl-3-keto-6-methyl-1,4-benzoxazin-4-yl)acetamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCC[NH+]3CCCCCC3

Isomeric SMILES

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)NCC[NH+]3CCCCCC3

InChI

InChI=1S/C21H31N3O3/c1-3-18-21(26)24(17-14-16(2)8-9-19(17)27-18)15-20(25)22-10-13-23-11-6-4-5-7-12-23/h8-9,14,18H,3-7,10-13,15H2,1-2H3,(H,22,25)/p+1