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

Systemtic Name: ethyl 2-azanyl-6-phenacyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-amino-6-phenacyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-amino-6-phenacyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-phenacyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-amino-6-phenacyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-2-23-18(22)16-13-8-9-20(11-15(13)24-17(16)19)10-14(21)12-6-4-3-5-7-12/h3-7H,2,8-11,19H2,1H3/p+1