[(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]azanium

Systemtic Name: [(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]azanium Openeye Name: [(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium CAS Name: [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium IUPAC Name: [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium Traditional Name: [(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]-[2-keto-2-(propargylamino)ethyl]ammonium Formula: C19H29N2O+ MolecularWeight: 301.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)C(C)(C)C)[NH2+]CC(=O)NCC#C

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)C(C)(C)C)[NH2+]CC(=O)NCC#C

InChI

InChI=1S/C19H28N2O/c1-7-12-20-17(22)13-21-18(14(2)3)15-8-10-16(11-9-15)19(4,5)6/h1,8-11,14,18,21H,12-13H2,2-6H3,(H,20,22)/p+1/t18-/m1/s1