N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-ethylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-ethylpiperazine-1,4-diium-1-yl)acetamide Formula: C18H28N4OS+2 MolecularWeight: 348.50612

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C)C#N

InChI

InChI=1S/C18H26N4OS/c1-3-21-6-8-22(9-7-21)12-17(23)20-18-15(11-19)14-5-4-13(2)10-16(14)24-18/h13H,3-10,12H2,1-2H3,(H,20,23)/p+2/t13-/m1/s1