N-[(2S)-1-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C(CCSC)NC(=O)C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](CNC(=O)[C@H](CCSC)NC(=O)C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C23H31N3O4S/c1-29-18-9-7-17(8-10-18)20(26-12-3-4-13-26)16-24-22(27)19(11-15-31-2)25-23(28)21-6-5-14-30-21/h5-10,14,19-20H,3-4,11-13,15-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t19-,20+/m0/s1