[(1R,2R)-2-(4-methylpentoxy)-1-(4-methylphenyl)propyl]azanium

Systemtic Name: [(1R,2R)-2-(4-methylpentoxy)-1-(4-methylphenyl)propyl]azanium Openeye Name: [(1R,2R)-2-isohexyloxy-1-(p-tolyl)propyl]ammonium CAS Name: [(1R,2R)-2-(4-methylpentoxy)-1-(4-methylphenyl)propyl]ammonium IUPAC Name: [(1R,2R)-2-(4-methylpentoxy)-1-(4-methylphenyl)propyl]azanium Traditional Name: [(1R,2R)-2-isohexyloxy-1-(p-tolyl)propyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C)OCCCC(C)C)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]([C@@H](C)OCCCC(C)C)[NH3+]

InChI

InChI=1S/C16H27NO/c1-12(2)6-5-11-18-14(4)16(17)15-9-7-13(3)8-10-15/h7-10,12,14,16H,5-6,11,17H2,1-4H3/p+1/t14-,16+/m1/s1