[(4S)-4-[4-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoylamino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[4-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)butanoylamino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxobutyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)butanoylamino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[4-(6-acetyl-3-keto-1,4-benzoxazin-4-yl)butanoylamino]pentyl]-diethyl-ammonium Formula: C23H36N3O4+ MolecularWeight: 418.54964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)C

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)C

InChI

InChI=1S/C23H35N3O4/c1-5-25(6-2)13-7-9-17(3)24-22(28)10-8-14-26-20-15-19(18(4)27)11-12-21(20)30-16-23(26)29/h11-12,15,17H,5-10,13-14,16H2,1-4H3,(H,24,28)/p+1/t17-/m0/s1