ethyl 5-azanyl-4-cyano-3-[(4-methylpiperidin-1-ium-1-yl)methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-methylpiperidin-1-ium-1-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-methylpiperidin-1-ium-1-yl)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-methylpiperidin-1-ium-1-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-methylpiperidin-1-ium-1-yl)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCC(CC2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCC(CC2)C

InChI

InChI=1S/C15H21N3O2S/c1-3-20-15(19)13-12(11(8-16)14(17)21-13)9-18-6-4-10(2)5-7-18/h10H,3-7,9,17H2,1-2H3/p+1