(2Z,4S,4aR,5S,5aS,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methylidene-5,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride

Systemtic Name: (2Z,4S,4aR,5S,5aS,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methylidene-5,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride Openeye Name: (2Z,4S,4aR,5S,5aS,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride CAS Name: (2Z,4S,4aR,5S,5aS,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride IUPAC Name: (2Z,4S,4aR,5S,5aS,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride Traditional Name: (2Z,4S,4aR,5S,5aS,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride Formula: C22H23ClN2O8 MolecularWeight: 478.87962

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2C(C3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O.Cl

Isomeric SMILES

CN(C)[C@H]1[C@@H]2[C@H]([C@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O.Cl

InChI

InChI=1S/C22H22N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-6,10,14-15,17,25-27,31-32H,1,23H2,2-3H3;1H/b21-13-;/t10-,14+,15-,17-,22-;/m0./s1