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

Systemtic Name: diethyl-[(4S)-4-[3-(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxopropyl]amino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[3-(3-keto-7-methyl-1,4-benzoxazin-4-yl)propanoylamino]pentyl]ammonium Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)CCN1C(=O)COC2=C1C=CC(=C2)C

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)CCN1C(=O)COC2=C1C=CC(=C2)C

InChI

InChI=1S/C21H33N3O3/c1-5-23(6-2)12-7-8-17(4)22-20(25)11-13-24-18-10-9-16(3)14-19(18)27-15-21(24)26/h9-10,14,17H,5-8,11-13,15H2,1-4H3,(H,22,25)/p+1/t17-/m0/s1