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diethyl-[2-[4-(4-phenylbutanoylamino)phenyl]carbonyloxyethyl]azanium

diethyl-[2-[4-(4-phenylbutanoylamino)phenyl]carbonyloxyethyl]azanium

Systemtic Name:diethyl-[2-[4-(4-phenylbutanoylamino)phenyl]carbonyloxyethyl]azanium
Openeye Name:diethyl-[2-[4-(4-phenylbutanoylamino)benzoyl]oxyethyl]ammonium
CAS Name:diethyl-[2-[oxo-[4-[(1-oxo-4-phenylbutyl)amino]phenyl]methoxy]ethyl]ammonium
IUPAC Name:diethyl-[2-[4-(4-phenylbutanoylamino)benzoyl]oxyethyl]azanium
Traditional Name:diethyl-[2-[4-(4-phenylbutanoylamino)benzoyl]oxyethyl]ammonium
Formula: C23H31N2O3+
MolecularWeight: 383.50384
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCC2=CC=CC=C2


Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCC2=CC=CC=C2


InChI

InChI=1S/C23H30N2O3/c1-3-25(4-2)17-18-28-23(27)20-13-15-21(16-14-20)24-22(26)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-16H,3-4,8,11-12,17-18H2,1-2H3,(H,24,26)/p+1


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