(3S,4S)-1-(1,4-dithiepan-6-yl)-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-(1,4-dithiepan-6-yl)-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-(1,4-dithiepan-6-yl)-4-morpholino-pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-(1,4-dithiepan-6-yl)-4-(4-morpholinyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-(1,4-dithiepan-6-yl)-4-morpholin-4-ylpyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(1,4-dithiepan-6-yl)-4-morpholino-pyrrolidin-1-ium-3-ol Formula: C13H25N2O2S2+ MolecularWeight: 305.4798

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2C[NH+](CC2O)C3CSCCSC3

Isomeric SMILES

C1COCCN1[C@H]2C[NH+](C[C@@H]2O)C3CSCCSC3

InChI

InChI=1S/C13H24N2O2S2/c16-13-8-15(11-9-18-5-6-19-10-11)7-12(13)14-1-3-17-4-2-14/h11-13,16H,1-10H2/p+1/t12-,13-/m0/s1