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

Systemtic Name: N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCN(CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4OS/c1-3-13-4-5-14-15(11-19)18(24-16(14)10-13)20-17(23)12-22-8-6-21(2)7-9-22/h13H,3-10,12H2,1-2H3,(H,20,23)/p+1/t13-/m0/s1