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

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium Openeye Name: [2-(benzylamino)-2-oxo-ethyl]-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]ammonium IUPAC Name: [2-(benzylamino)-2-oxoethyl]-[(4-tert-butylphenyl)methyl]-methylazanium Traditional Name: [2-(benzylamino)-2-keto-ethyl]-(4-tert-butylbenzyl)-methyl-ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O/c1-21(2,3)19-12-10-18(11-13-19)15-23(4)16-20(24)22-14-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3,(H,22,24)/p+1