2-(2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCCC[NH+]3CCCCC3C

Isomeric SMILES

CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCCC[NH+]3CCCCC3C

InChI

InChI=1S/C21H31N3O3/c1-3-18-21(26)24(17-10-4-5-11-19(17)27-18)15-20(25)22-12-8-14-23-13-7-6-9-16(23)2/h4-5,10-11,16,18H,3,6-9,12-15H2,1-2H3,(H,22,25)/p+1