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

Systemtic Name: 2-(2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ethanamide Openeye Name: 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide CAS Name: 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide Traditional Name: 2-(2-ethyl-3-keto-1,4-benzoxazin-4-yl)-N-[3-(4-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+]3CCC(CC3)C

Isomeric SMILES

CCC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCCC[NH+]3CCC(CC3)C

InChI

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