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

Systemtic Name: [(2S)-octan-2-yl]-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: [(1S)-1-methylheptyl]-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: [(2S)-octan-2-yl]-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: [(2S)-octan-2-yl]-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: [(1S)-1-methylheptyl]-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO/c1-3-4-5-6-8-13(2)17-15-9-7-10-16-14(15)11-12-18-16/h11-13,15,17H,3-10H2,1-2H3/p+1/t13-,15-/m0/s1