methyl 2-[methyl-[2-[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]ethanoyl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[2-[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]ethanoyl]amino]benzoate Openeye Name: methyl 2-[methyl-[2-[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetyl]amino]benzoate CAS Name: 2-[methyl-[2-[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[2-[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetyl]amino]benzoate Traditional Name: 2-[methyl-[2-[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetyl]amino]benzoic acid methyl ester Formula: C19H23N2O3S+ MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CC[NH+]1CC(=O)N(C)C3=CC=CC=C3C(=O)OC)SC=C2

Isomeric SMILES

C[C@H]1C2=C(CC[NH+]1CC(=O)N(C)C3=CC=CC=C3C(=O)OC)SC=C2

InChI

InChI=1S/C19H22N2O3S/c1-13-14-9-11-25-17(14)8-10-21(13)12-18(22)20(2)16-7-5-4-6-15(16)19(23)24-3/h4-7,9,11,13H,8,10,12H2,1-3H3/p+1/t13-/m0/s1