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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C17H23N3OS/c1-12-5-4-8-20(10-12)11-16(21)19-17-14(9-18)13-6-2-3-7-15(13)22-17/h12H,2-8,10-11H2,1H3,(H,19,21)/p+1/t12-/m0/s1