(4S)-5-azanyl-1-cyclooctyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dihydropyrrol-1-ium-3-one

Systemtic Name: (4S)-5-azanyl-1-cyclooctyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dihydropyrrol-1-ium-3-one Openeye Name: (4S)-5-amino-1-cyclooctyl-4-[4-(4-methoxyphenyl)thiazol-2-yl]-2,4-dihydropyrrol-1-ium-3-one CAS Name: (4S)-5-amino-1-cyclooctyl-4-[4-(4-methoxyphenyl)-2-thiazolyl]-2,4-dihydropyrrol-1-ium-3-one IUPAC Name: (4S)-5-amino-1-cyclooctyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dihydropyrrol-1-ium-3-one Traditional Name: (4S)-5-amino-1-cyclooctyl-4-[4-(4-methoxyphenyl)thiazol-2-yl]-1-pyrrolin-1-ium-3-one Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)C3C(=O)C[N+](=C3N)C4CCCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)[C@@H]3C(=O)C[N+](=C3N)C4CCCCCCC4

InChI

InChI=1S/C22H27N3O2S/c1-27-17-11-9-15(10-12-17)18-14-28-22(24-18)20-19(26)13-25(21(20)23)16-7-5-3-2-4-6-8-16/h9-12,14,16,20,23H,2-8,13H2,1H3/p+1/t20-/m1/s1