4-methoxy-N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: 4-methoxy-N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 4-methoxy-N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 4-methoxy-N-[3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 4-methoxy-N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 4-methoxy-N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C22H31N3O2S+2 MolecularWeight: 401.56544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H29N3O2S/c1-24-11-13-25(14-12-24)15-19-18-5-3-4-6-20(18)28-22(19)23-21(26)16-7-9-17(27-2)10-8-16/h7-10H,3-6,11-15H2,1-2H3,(H,23,26)/p+2