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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)CCCN1C(=O)COC2=CC=CC=C21

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)CCCN1C(=O)COC2=CC=CC=C21

InChI

InChI=1S/C21H33N3O3/c1-4-23(5-2)14-8-10-17(3)22-20(25)13-9-15-24-18-11-6-7-12-19(18)27-16-21(24)26/h6-7,11-12,17H,4-5,8-10,13-16H2,1-3H3,(H,22,25)/p+1/t17-/m0/s1