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

Systemtic Name: [4-[[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H25N3O2S/c1-3-24(4-2)14-17-11-9-16(10-12-17)13-22-20(25)15-27-21-23-18-7-5-6-8-19(18)26-21/h5-12H,3-4,13-15H2,1-2H3,(H,22,25)/p+1