azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-phenyl-azanium

Systemtic Name: azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-phenyl-azanium Openeye Name: azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-phenyl-ammonium CAS Name: 2-azepanylidene-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-phenylammonium IUPAC Name: azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-phenylazanium Traditional Name: azepan-2-ylidene-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-phenyl-ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+](=C2CCCCCN2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H26N2O3/c1-26-20-13-12-17(15-21(20)27-2)19(25)16-24(18-9-5-3-6-10-18)22-11-7-4-8-14-23-22/h3,5-6,9-10,12-13,15H,4,7-8,11,14,16H2,1-2H3/p+1