[(4S)-4-[2-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[2-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[[2-(6-acetyl-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]pentyl]-diethyl-ammonium Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)CN1C(=O)COC2=C1C=C(C=C2)C(=O)C

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)CN1C(=O)COC2=C1C=C(C=C2)C(=O)C

InChI

InChI=1S/C21H31N3O4/c1-5-23(6-2)11-7-8-15(3)22-20(26)13-24-18-12-17(16(4)25)9-10-19(18)28-14-21(24)27/h9-10,12,15H,5-8,11,13-14H2,1-4H3,(H,22,26)/p+1/t15-/m0/s1