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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C15H20N3OS+ MolecularWeight: 290.4038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCCC3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCCC3)C#N

InChI

InChI=1S/C15H19N3OS/c16-9-12-11-5-1-2-6-13(11)20-15(12)17-14(19)10-18-7-3-4-8-18/h1-8,10H2,(H,17,19)/p+1