tert-butyl-[2-[[4-[5-[2-(tert-butylazaniumyl)ethanoylamino]-1,3-benzoxazol-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: tert-butyl-[2-[[4-[5-[2-(tert-butylazaniumyl)ethanoylamino]-1,3-benzoxazol-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: tert-butyl-[2-[4-[5-[[2-(tert-butylammonio)acetyl]amino]-1,3-benzoxazol-2-yl]anilino]-2-oxo-ethyl]ammonium CAS Name: tert-butyl-[2-[4-[5-[[2-(tert-butylammonio)-1-oxoethyl]amino]-1,3-benzoxazol-2-yl]anilino]-2-oxoethyl]ammonium IUPAC Name: tert-butyl-[2-[4-[5-[[2-(tert-butylazaniumyl)acetyl]amino]-1,3-benzoxazol-2-yl]anilino]-2-oxoethyl]azanium Traditional Name: tert-butyl-[2-[4-[5-[[2-(tert-butylammonio)acetyl]amino]-1,3-benzoxazol-2-yl]anilino]-2-keto-ethyl]ammonium Formula: C25H35N5O3+2 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C[NH2+]C(C)(C)C

Isomeric SMILES

CC(C)(C)[NH2+]CC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C[NH2+]C(C)(C)C

InChI

InChI=1S/C25H33N5O3/c1-24(2,3)26-14-21(31)28-17-9-7-16(8-10-17)23-30-19-13-18(11-12-20(19)33-23)29-22(32)15-27-25(4,5)6/h7-13,26-27H,14-15H2,1-6H3,(H,28,31)(H,29,32)/p+2