(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-cyclooctyl-azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-cyclooctyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-cyclooctyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-cyclooctylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-cyclooctylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-cyclooctyl-ammonium Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH2+]C2CCCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH2+]C2CCCCCCC2

InChI

InChI=1S/C17H25N3O2S/c1-2-22-17(21)15-14(13(10-18)16(19)23-15)11-20-12-8-6-4-3-5-7-9-12/h12,20H,2-9,11,19H2,1H3/p+1