[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-cyclooctyl-azanium

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-cyclooctyl-azanium Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-cyclooctylammonium IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-cyclooctylazanium Traditional Name: [(1S)-2-(3-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=CC(=C1)C#N)[NH2+]C2CCCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O/c1-14(20-16-9-5-3-2-4-6-10-16)18(22)21-17-11-7-8-15(12-17)13-19/h7-8,11-12,14,16,20H,2-6,9-10H2,1H3,(H,21,22)/p+1/t14-/m0/s1