azepan-2-ylidene-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-phenyl-azanium

Systemtic Name: azepan-2-ylidene-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-phenyl-azanium Openeye Name: azepan-2-ylidene-[2-oxo-2-(2-thienyl)ethyl]-phenyl-ammonium CAS Name: 2-azepanylidene-(2-oxo-2-thiophen-2-ylethyl)-phenylammonium IUPAC Name: azepan-2-ylidene-(2-oxo-2-thiophen-2-ylethyl)-phenylazanium Traditional Name: azepan-2-ylidene-[2-keto-2-(2-thienyl)ethyl]-phenyl-ammonium Formula: C18H21N2OS+ MolecularWeight: 313.43714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](CC(=O)C2=CC=CS2)C3=CC=CC=C3)NCC1

Isomeric SMILES

C1CCC(=[N+](CC(=O)C2=CC=CS2)C3=CC=CC=C3)NCC1

InChI

InChI=1S/C18H20N2OS/c21-16(17-10-7-13-22-17)14-20(15-8-3-1-4-9-15)18-11-5-2-6-12-19-18/h1,3-4,7-10,13H,2,5-6,11-12,14H2/p+1