methyl 1-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H22N3O4S+ MolecularWeight: 352.42858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-3-23-16(21)13-12(11(8-17)14(18)24-13)9-19-6-4-10(5-7-19)15(20)22-2/h10H,3-7,9,18H2,1-2H3/p+1