[(3S,4S)-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(2,2-dimethylcoumaran-7-yl)oxy-1-propyl-butyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)OC1=CC=CC2=C1OC(C2)(C)C)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)OC1=CC=CC2=C1OC(C2)(C)C)[NH3+]

InChI

InChI=1S/C17H27NO2/c1-5-8-13(18)14(6-2)19-15-10-7-9-12-11-17(3,4)20-16(12)15/h7,9-10,13-14H,5-6,8,11,18H2,1-4H3/p+1/t13-,14-/m0/s1