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

Systemtic Name: N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-ethylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-ethylpiperazin-1-ium-1-yl)acetamide Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4OS/c1-3-14-5-6-15-16(12-20)19(25-17(15)11-14)21-18(24)13-23-9-7-22(4-2)8-10-23/h14H,3-11,13H2,1-2H3,(H,21,24)/p+1/t14-/m0/s1