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

Systemtic Name: [(4S)-4-[2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[[2-(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]pentyl]-diethyl-ammonium Formula: C23H38N3O3+ MolecularWeight: 404.56612

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O3/c1-7-25(8-2)13-9-10-17(3)24-21(27)15-26-19-14-18(23(4,5)6)11-12-20(19)29-16-22(26)28/h11-12,14,17H,7-10,13,15-16H2,1-6H3,(H,24,27)/p+1/t17-/m0/s1