N-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: N-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C20H28N4OS+2 MolecularWeight: 372.52752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H26N4OS/c1-15(25)22-20-17(16-6-2-3-7-18(16)26-20)14-23-10-12-24(13-11-23)19-8-4-5-9-21-19/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,22,25)/p+2