[(2S)-5-methylhexan-2-yl]-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium Formula: C15H26NO+ MolecularWeight: 236.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]C1CCCC2=C1C=CO2

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+][C@H]1CCCC2=C1C=CO2

InChI

InChI=1S/C15H25NO/c1-11(2)7-8-12(3)16-14-5-4-6-15-13(14)9-10-17-15/h9-12,14,16H,4-8H2,1-3H3/p+1/t12-,14-/m0/s1