[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-naphthalen-2-yl-methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-naphthalen-2-yl-methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-naphthyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(2-naphthalenyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-naphthalen-2-ylmethanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-naphthyl)methanone Formula: C20H20BrN2OS+ MolecularWeight: 416.3546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H19BrN2OS/c21-19-8-7-18(25-19)14-22-9-11-23(12-10-22)20(24)17-6-5-15-3-1-2-4-16(15)13-17/h1-8,13H,9-12,14H2/p+1