diethyl-[(4S)-4-[2-(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[2-(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[2-(3-keto-7-methyl-1,4-benzoxazin-4-yl)acetyl]amino]pentyl]ammonium Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3/c1-5-22(6-2)11-7-8-16(4)21-19(24)13-23-17-10-9-15(3)12-18(17)26-14-20(23)25/h9-10,12,16H,5-8,11,13-14H2,1-4H3,(H,21,24)/p+1/t16-/m0/s1