ethyl 3-azanyl-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium-2-carboxylate

Systemtic Name: ethyl 3-azanyl-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium-2-carboxylate Openeye Name: ethyl 3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium-2-carboxylate CAS Name: 3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium-2-carboxylate Traditional Name: 3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium-2-carboxylic acid ethyl ester Formula: C18H25N2O2S+ MolecularWeight: 333.4683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC3=C(CCC(C3)C(C)(C)C)[NH+]=C2S1)N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC3=C(CCC(C3)C(C)(C)C)[NH+]=C2S1)N

InChI

InChI=1S/C18H24N2O2S/c1-5-22-17(21)15-14(19)12-9-10-8-11(18(2,3)4)6-7-13(10)20-16(12)23-15/h9,11H,5-8,19H2,1-4H3/p+1