(4-methylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(4,5,6,7-tetrahydroisobenzothiophen-1-yl)methanone Formula: C14H21N2OS+ MolecularWeight: 265.39434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C3CCCCC3=CS2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C3CCCCC3=CS2

InChI

InChI=1S/C14H20N2OS/c1-15-6-8-16(9-7-15)14(17)13-12-5-3-2-4-11(12)10-18-13/h10H,2-9H2,1H3/p+1