[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C20H21N2OS+ MolecularWeight: 337.45854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2OS/c23-20(16-6-2-1-3-7-16)22-12-10-21(11-13-22)14-17-15-24-19-9-5-4-8-18(17)19/h1-9,15H,10-14H2/p+1