azepan-2-ylidene-(2,5-dimethoxyphenyl)-(2-oxidanylidene-2-thiophen-2-yl-ethyl)azanium

Systemtic Name: azepan-2-ylidene-(2,5-dimethoxyphenyl)-(2-oxidanylidene-2-thiophen-2-yl-ethyl)azanium Openeye Name: azepan-2-ylidene-(2,5-dimethoxyphenyl)-[2-oxo-2-(2-thienyl)ethyl]ammonium CAS Name: 2-azepanylidene-(2,5-dimethoxyphenyl)-(2-oxo-2-thiophen-2-ylethyl)ammonium IUPAC Name: azepan-2-ylidene-(2,5-dimethoxyphenyl)-(2-oxo-2-thiophen-2-ylethyl)azanium Traditional Name: azepan-2-ylidene-(2,5-dimethoxyphenyl)-[2-keto-2-(2-thienyl)ethyl]ammonium Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)[N+](=C2CCCCCN2)CC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[N+](=C2CCCCCN2)CC(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O3S/c1-24-15-9-10-18(25-2)16(13-15)22(20-8-4-3-5-11-21-20)14-17(23)19-7-6-12-26-19/h6-7,9-10,12-13H,3-5,8,11,14H2,1-2H3/p+1