[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-propan-2-ylphenyl)azanium

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-propan-2-ylphenyl)azanium Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(3-isopropylphenyl)ammonium CAS Name: [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-(3-propan-2-ylphenyl)ammonium IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(3-propan-2-ylphenyl)azanium Traditional Name: [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-m-cumenyl-ammonium Formula: C18H29N2O+ MolecularWeight: 289.43566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)[NH2+]C(C)C(=O)N2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)[NH2+]C2=CC=CC(=C2)C(C)C

InChI

InChI=1S/C18H28N2O/c1-14(2)16-9-8-10-17(13-16)19-15(3)18(21)20-11-6-4-5-7-12-20/h8-10,13-15,19H,4-7,11-12H2,1-3H3/p+1/t15-/m1/s1