azepan-2-ylidene-(4-chlorophenyl)-phenacyl-azanium

Systemtic Name: azepan-2-ylidene-(4-chlorophenyl)-phenacyl-azanium Openeye Name: azepan-2-ylidene-(4-chlorophenyl)-phenacyl-ammonium CAS Name: 2-azepanylidene-(4-chlorophenyl)-phenacylammonium IUPAC Name: azepan-2-ylidene-(4-chlorophenyl)-phenacylazanium Traditional Name: azepan-2-ylidene-(4-chlorophenyl)-phenacyl-ammonium Formula: C20H22ClN2O+ MolecularWeight: 341.85448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O/c21-17-10-12-18(13-11-17)23(20-9-5-2-6-14-22-20)15-19(24)16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2/p+1