diethyl-[[4-[[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzyl]ammonium Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C23H29N3O3/c1-3-25(4-2)17-19-13-11-18(12-14-19)16-24-22(27)10-7-15-26-20-8-5-6-9-21(20)29-23(26)28/h5-6,8-9,11-14H,3-4,7,10,15-17H2,1-2H3,(H,24,27)/p+1