[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]ammonium CAS Name: [4-[anilino(oxo)methyl]phenyl]methyl-[2-(tert-butylamino)-2-oxoethyl]-methylammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium Traditional Name: [2-(tert-butylamino)-2-keto-ethyl]-methyl-[4-(phenylcarbamoyl)benzyl]ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+](C)CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+](C)CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2/c1-21(2,3)23-19(25)15-24(4)14-16-10-12-17(13-11-16)20(26)22-18-8-6-5-7-9-18/h5-13H,14-15H2,1-4H3,(H,22,26)(H,23,25)/p+1