methyl 4-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]carbamoyl]benzoate CAS Name: 4-[[[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]carbamoyl]benzoate Traditional Name: 4-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C19H23N2O4S+ MolecularWeight: 375.46192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C19H22N2O4S/c1-24-19(23)15-6-4-14(5-7-15)18(22)20-13-16(17-3-2-12-26-17)21-8-10-25-11-9-21/h2-7,12,16H,8-11,13H2,1H3,(H,20,22)/p+1/t16-/m0/s1