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

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

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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=C2C(C)C

InChI

InChI=1S/C18H28N2O/c1-14(2)16-10-6-7-11-17(16)19-15(3)18(21)20-12-8-4-5-9-13-20/h6-7,10-11,14-15,19H,4-5,8-9,12-13H2,1-3H3/p+1/t15-/m1/s1