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

Systemtic Name: [(2S)-pentan-2-yl]-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: [(1S)-1-methylbutyl]-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: [(2S)-pentan-2-yl]-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: [(2S)-pentan-2-yl]-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: [(1S)-1-methylbutyl]-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium Formula: C13H22NO+ MolecularWeight: 208.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]C1CCCC2=C1C=CO2

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO/c1-3-5-10(2)14-12-6-4-7-13-11(12)8-9-15-13/h8-10,12,14H,3-7H2,1-2H3/p+1/t10-,12-/m0/s1