(2S)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: (2S)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: (2S)-4-hydroxy-2-(4-isopentyloxy-3-methoxy-phenyl)-1-(2-morpholin-4-ium-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: (2S)-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one IUPAC Name: (2S)-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: (5S)-3-hydroxy-5-(4-isoamoxy-3-methoxy-phenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C27H35N2O6S+ MolecularWeight: 515.6416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)O)C(=O)C4=CC=CS4)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)[C@H]2C(=C(C(=O)N2CC[NH+]3CCOCC3)O)C(=O)C4=CC=CS4)OC

InChI

InChI=1S/C27H34N2O6S/c1-18(2)8-13-35-20-7-6-19(17-21(20)33-3)24-23(25(30)22-5-4-16-36-22)26(31)27(32)29(24)10-9-28-11-14-34-15-12-28/h4-7,16-18,24,31H,8-15H2,1-3H3/p+1/t24-/m0/s1