[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]azanium

Systemtic Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]azanium Openeye Name: [(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium CAS Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium IUPAC Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium Traditional Name: [2-keto-2-(propargylamino)ethyl]-[(1S)-2-methyl-1-p-cumenyl-propyl]ammonium Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O/c1-6-11-19-17(21)12-20-18(14(4)5)16-9-7-15(8-10-16)13(2)3/h1,7-10,13-14,18,20H,11-12H2,2-5H3,(H,19,21)/p+1/t18-/m0/s1