ethyl 5-azanyl-3-(azocan-1-ium-1-ylmethyl)-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-(azocan-1-ium-1-ylmethyl)-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-(azocan-1-ium-1-ylmethyl)-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-(1-azocan-1-iumylmethyl)-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(azocan-1-ium-1-ylmethyl)-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-(azocan-1-ium-1-ylmethyl)-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCCCCCC2

InChI

InChI=1S/C16H23N3O2S/c1-2-21-16(20)14-13(12(10-17)15(18)22-14)11-19-8-6-4-3-5-7-9-19/h2-9,11,18H2,1H3/p+1