(4-tert-butylphenyl)methyl-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H28N2O/c1-13(17(21)19-16-10-11-16)20(5)12-14-6-8-15(9-7-14)18(2,3)4/h6-9,13,16H,10-12H2,1-5H3,(H,19,21)/p+1/t13-/m1/s1