[[5-[2-[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]pyridin-2-yl]amino]azanium chloride

Systemtic Name: [[5-[2-[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]pyridin-2-yl]amino]azanium chloride Openeye Name: [[5-[2-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]-2-pyridyl]amino]ammonium chloride CAS Name: [[5-[2-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]-2-pyridinyl]amino]ammonium chloride IUPAC Name: [[5-[2-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]pyridin-2-yl]amino]azanium chloride Traditional Name: [[5-[2-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]-2-pyridyl]amino]ammonium chloride Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C#CC4=CN=C(C=C4)N[NH3+])O)CCC5=C3C=CC(=C5)O.[Cl-]

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#CC4=CN=C(C=C4)N[NH3+])O)CCC5=C3C=CC(=C5)O.[Cl-]

InChI

InChI=1S/C25H29N3O2.ClH/c1-24-11-9-20-19-6-4-18(29)14-17(19)3-5-21(20)22(24)10-13-25(24,30)12-8-16-2-7-23(28-26)27-15-16;/h2,4,6-7,14-15,20-22,29-30H,3,5,9-11,13,26H2,1H3,(H,27,28);1H/t20-,21-,22+,24+,25+;/m1./s1