(4-tert-butylphenyl)methyl-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl]-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: [2-(3-acetylanilino)-2-oxoethyl]-[(4-tert-butylphenyl)methyl]-methylammonium IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl]-[(4-tert-butylphenyl)methyl]-methylazanium Traditional Name: [2-(3-acetylanilino)-2-keto-ethyl]-(4-tert-butylbenzyl)-methyl-ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H28N2O2/c1-16(25)18-7-6-8-20(13-18)23-21(26)15-24(5)14-17-9-11-19(12-10-17)22(2,3)4/h6-13H,14-15H2,1-5H3,(H,23,26)/p+1