methyl 2-[2-[[(2S)-2-(5-aminocarbonylthiophen-2-yl)pyrrolidin-1-ium-1-yl]methyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[2-[[(2S)-2-(5-aminocarbonylthiophen-2-yl)pyrrolidin-1-ium-1-yl]methyl]phenoxy]ethanoate Openeye Name: methyl 2-[2-[[(2S)-2-(5-carbamoyl-2-thienyl)pyrrolidin-1-ium-1-yl]methyl]phenoxy]acetate CAS Name: 2-[2-[[(2S)-2-(5-carbamoyl-2-thiophenyl)-1-pyrrolidin-1-iumyl]methyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[[(2S)-2-(5-carbamoylthiophen-2-yl)pyrrolidin-1-ium-1-yl]methyl]phenoxy]acetate Traditional Name: 2-[2-[[(2S)-2-(5-carbamoyl-2-thienyl)pyrrolidin-1-ium-1-yl]methyl]phenoxy]acetic acid methyl ester Formula: C19H23N2O4S+ MolecularWeight: 375.46192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC=C1C[NH+]2CCCC2C3=CC=C(S3)C(=O)N

Isomeric SMILES

COC(=O)COC1=CC=CC=C1C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)N

InChI

InChI=1S/C19H22N2O4S/c1-24-18(22)12-25-15-7-3-2-5-13(15)11-21-10-4-6-14(21)16-8-9-17(26-16)19(20)23/h2-3,5,7-9,14H,4,6,10-12H2,1H3,(H2,20,23)/p+1/t14-/m0/s1