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

Systemtic Name: diethyl-[(4S)-4-[4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoylamino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxobutyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoylamino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[4-(3-keto-6-methyl-1,4-benzoxazin-4-yl)butanoylamino]pentyl]ammonium Formula: C22H36N3O3+ MolecularWeight: 390.53954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3/c1-5-24(6-2)13-7-9-18(4)23-21(26)10-8-14-25-19-15-17(3)11-12-20(19)28-16-22(25)27/h11-12,15,18H,5-10,13-14,16H2,1-4H3,(H,23,26)/p+1/t18-/m0/s1