(3S,3aR,7aR)-3-methanidyl-1-(phenylmethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-4-ide; cyclopentane; zirconium(4+)

Systemtic Name: (3S,3aR,7aR)-3-methanidyl-1-(phenylmethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-4-ide; cyclopentane; zirconium(4+) Openeye Name: (3S,3aR,7aR)-1-benzyl-3-methanidyl-2,3,3a,4,5,6,7,7a-octahydroindol-4-ide; cyclopentane; zirconium(4+) CAS Name: (3S,3aR,7aR)-3-methanidyl-1-(phenylmethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-4-ide; cyclopentane; zirconium(4+) IUPAC Name: (3S,3aR,7aR)-1-benzyl-3-methanidyl-2,3,3a,4,5,6,7,7a-octahydroindol-4-ide; cyclopentane; zirconium(4+) Traditional Name: (3S,3aR,7aR)-1-benzyl-3-methanidyl-2,3,3a,4,5,6,7,7a-octahydroindol-4-ide; cyclopentane; zirconium(4+) Formula: C26H31NZr+2 MolecularWeight: 448.75504

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1CN(C2C1[CH-]CCC2)CC3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

Isomeric SMILES

[CH2-][C@@H]1CN([C@H]2[C@@H]1[CH-]CCC2)CC3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C16H21N.2C5H5.Zr/c1-13-11-17(12-14-7-3-2-4-8-14)16-10-6-5-9-15(13)16;2*1-2-4-5-3-1;/h2-4,7-9,13,15-16H,1,5-6,10-12H2;2*1-5H;/q-2;;;+4/t13-,15-,16-;;;/m1.../s1