azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]azanium Openeye Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-oxo-2-(p-tolyl)ethyl]ammonium CAS Name: 2-azepanylidene-(1,3-benzodioxol-5-yl)-[2-(4-methylphenyl)-2-oxoethyl]ammonium IUPAC Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-(4-methylphenyl)-2-oxoethyl]azanium Traditional Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-keto-2-(p-tolyl)ethyl]ammonium Formula: C22H25N2O3+ MolecularWeight: 365.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O3/c1-16-6-8-17(9-7-16)19(25)14-24(22-5-3-2-4-12-23-22)18-10-11-20-21(13-18)27-15-26-20/h6-11,13H,2-5,12,14-15H2,1H3/p+1