N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCN(CC3)C

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCN(CC3)C

InChI

InChI=1S/C20H30N4OS/c1-20(2,3)14-5-6-15-16(12-21)19(26-17(15)11-14)22-18(25)13-24-9-7-23(4)8-10-24/h14H,5-11,13H2,1-4H3,(H,22,25)/p+1/t14-/m1/s1