1-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]methyl]-3-morpholin-4-ylcarbonyl-naphthalen-2-olate

Systemtic Name: 1-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]methyl]-3-morpholin-4-ylcarbonyl-naphthalen-2-olate Openeye Name: 1-[[[(3S)-1,1-dioxothiolan-3-yl]-methyl-ammonio]methyl]-3-(morpholine-4-carbonyl)naphthalen-2-olate CAS Name: 1-[[[(3S)-1,1-dioxo-3-thiolanyl]-methylammonio]methyl]-3-[4-morpholinyl(oxo)methyl]-2-naphthalenolate IUPAC Name: 1-[[[(3S)-1,1-dioxothiolan-3-yl]-methylazaniumyl]methyl]-3-(morpholine-4-carbonyl)naphthalen-2-olate Traditional Name: 1-[[[(3S)-1,1-diketothiolan-3-yl]-methyl-ammonio]methyl]-3-(morpholine-4-carbonyl)naphthalen-2-olate Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C(=CC2=CC=CC=C21)C(=O)N3CCOCC3)[O-])C4CCS(=O)(=O)C4

Isomeric SMILES

C[NH+](CC1=C(C(=CC2=CC=CC=C21)C(=O)N3CCOCC3)[O-])[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C21H26N2O5S/c1-22(16-6-11-29(26,27)14-16)13-19-17-5-3-2-4-15(17)12-18(20(19)24)21(25)23-7-9-28-10-8-23/h2-5,12,16,24H,6-11,13-14H2,1H3/t16-/m0/s1