methyl 2-azanyl-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: methyl 2-azanyl-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-amino-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CC[NH+](C2)CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CC[NH+](C2)CC3=CC=CC=C3)N

InChI

InChI=1S/C16H18N2O2S/c1-20-16(19)14-12-7-8-18(10-13(12)21-15(14)17)9-11-5-3-2-4-6-11/h2-6H,7-10,17H2,1H3/p+1