[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-cyclooctyl-azanium

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-cyclooctyl-azanium Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-cyclooctylammonium IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-cyclooctylazanium Traditional Name: [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]-cyclooctyl-ammonium Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH2+]C2CCCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)[NH2+]C2CCCCCCC2

InChI

InChI=1S/C18H25N3O/c1-14(20-16-7-5-3-2-4-6-8-16)18(22)21-17-11-9-15(13-19)10-12-17/h9-12,14,16,20H,2-8H2,1H3,(H,21,22)/p+1/t14-/m1/s1