(3aS,6R)-6-isocyano-8-methoxy-6-methyl-1,2,3,3a,4,5-hexahydrophenalene

Systemtic Name: (3aS,6R)-6-isocyano-8-methoxy-6-methyl-1,2,3,3a,4,5-hexahydrophenalene Openeye Name: (3aS,6R)-6-isocyano-8-methoxy-6-methyl-1,2,3,3a,4,5-hexahydrophenalene CAS Name: (3aS,6R)-6-isocyano-8-methoxy-6-methyl-1,2,3,3a,4,5-hexahydrophenalene IUPAC Name: (3aS,6R)-6-isocyano-8-methoxy-6-methyl-1,2,3,3a,4,5-hexahydrophenalene Traditional Name: (3aS,6R)-6-isocyano-8-methoxy-6-methyl-1,2,3,3a,4,5-hexahydrophenalene Formula: C16H19NO MolecularWeight: 241.32816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2CCCC3=CC(=CC1=C23)OC)[N+]#[C-]

Isomeric SMILES

C[C@]1(CC[C@@H]2CCCC3=CC(=CC1=C23)OC)[N+]#[C-]

InChI

InChI=1S/C16H19NO/c1-16(17-2)8-7-11-5-4-6-12-9-13(18-3)10-14(16)15(11)12/h9-11H,4-8H2,1,3H3/t11-,16+/m0/s1