3-(3,4-dimethoxyphenyl)-N-ethanoyl-propanenitrilium

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-ethanoyl-propanenitrilium Openeye Name: N-acetyl-3-(3,4-dimethoxyphenyl)propanenitrilium CAS Name: N-acetyl-3-(3,4-dimethoxyphenyl)propanenitrilium IUPAC Name: N-acetyl-3-(3,4-dimethoxyphenyl)propanenitrilium Traditional Name: N-acetyl-3-(3,4-dimethoxyphenyl)propiononitrilium Formula: C13H16NO3+ MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]#CCCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC(=O)[N+]#CCCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C13H16NO3/c1-10(15)14-8-4-5-11-6-7-12(16-2)13(9-11)17-3/h6-7,9H,4-5H2,1-3H3/q+1