5-butan-2-yl-N-ethanoyl-2-propan-2-yl-benzonitrilium

Systemtic Name: 5-butan-2-yl-N-ethanoyl-2-propan-2-yl-benzonitrilium Openeye Name: N-acetyl-2-isopropyl-5-sec-butyl-benzonitrilium CAS Name: N-acetyl-5-butan-2-yl-2-propan-2-ylbenzonitrilium IUPAC Name: N-acetyl-5-butan-2-yl-2-propan-2-ylbenzonitrilium Traditional Name: N-acetyl-2-isopropyl-5-sec-butyl-benzonitrilium Formula: C16H22NO+ MolecularWeight: 244.35198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)C(C)C)C#[N+]C(=O)C

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)C(C)C)C#[N+]C(=O)C

InChI

InChI=1S/C16H22NO/c1-6-12(4)14-7-8-16(11(2)3)15(9-14)10-17-13(5)18/h7-9,11-12H,6H2,1-5H3/q+1