2-(azocan-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C18H25N3OS/c19-12-15-14-8-4-5-9-16(14)23-18(15)20-17(22)13-21-10-6-2-1-3-7-11-21/h1-11,13H2,(H,20,22)/p+1