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

Systemtic Name: [4-[[2-(1,2-benzoxazol-3-yl)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: diethyl-[4-[[(2-indoxazen-3-ylacetyl)amino]methyl]benzyl]ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CC2=NOC3=CC=CC=C32

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CC2=NOC3=CC=CC=C32

InChI

InChI=1S/C21H25N3O2/c1-3-24(4-2)15-17-11-9-16(10-12-17)14-22-21(25)13-19-18-7-5-6-8-20(18)26-23-19/h5-12H,3-4,13-15H2,1-2H3,(H,22,25)/p+1