[(E)-[azanyl-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylidene]amino] thiophene-2-carboxylate

Systemtic Name: [(E)-[azanyl-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylidene]amino] thiophene-2-carboxylate Openeye Name: [(E)-[amino-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylene]amino] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [(E)-[amino-[4-(1-piperidin-1-iumylmethyl)phenyl]methylidene]amino] ester IUPAC Name: [(E)-[amino-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylidene]amino] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [(E)-[amino-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylene]amino] ester Formula: C18H22N3O2S+ MolecularWeight: 344.45118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=NOC(=O)C3=CC=CS3)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)/C(=N\OC(=O)C3=CC=CS3)/N

InChI

InChI=1S/C18H21N3O2S/c19-17(20-23-18(22)16-5-4-12-24-16)15-8-6-14(7-9-15)13-21-10-2-1-3-11-21/h4-9,12H,1-3,10-11,13H2,(H2,19,20)/p+1