ethyl 2-azanyl-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: ethyl 2-azanyl-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-amino-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-amino-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-amino-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)CCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)CCC3=CC=CC=C3)N

InChI

InChI=1S/C18H22N2O2S/c1-2-22-18(21)16-14-9-11-20(12-15(14)23-17(16)19)10-8-13-6-4-3-5-7-13/h3-7H,2,8-12,19H2,1H3/p+1