methyl 1-azanyl-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate

Systemtic Name: methyl 1-azanyl-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate Openeye Name: methyl 1-amino-5-(1-piperidyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate CAS Name: 1-amino-5-(1-piperidinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylic acid methyl ester IUPAC Name: methyl 1-amino-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate Traditional Name: 1-amino-5-piperidino-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxylic acid methyl ester Formula: C18H24N3O2S+ MolecularWeight: 346.46706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C3CCCCC3=C([NH+]=C2S1)N4CCCCC4)N

Isomeric SMILES

COC(=O)C1=C(C2=C3CCCCC3=C([NH+]=C2S1)N4CCCCC4)N

InChI

InChI=1S/C18H23N3O2S/c1-23-18(22)15-14(19)13-11-7-3-4-8-12(11)16(20-17(13)24-15)21-9-5-2-6-10-21/h2-10,19H2,1H3/p+1