[(1R,2S)-2-(4-methylpentoxy)-1-phenyl-butyl]azanium

Systemtic Name: [(1R,2S)-2-(4-methylpentoxy)-1-phenyl-butyl]azanium Openeye Name: [(1R,2S)-2-isohexyloxy-1-phenyl-butyl]ammonium CAS Name: [(1R,2S)-2-(4-methylpentoxy)-1-phenylbutyl]ammonium IUPAC Name: [(1R,2S)-2-(4-methylpentoxy)-1-phenylbutyl]azanium Traditional Name: [(1R,2S)-2-isohexyloxy-1-phenyl-butyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO/c1-4-15(18-12-8-9-13(2)3)16(17)14-10-6-5-7-11-14/h5-7,10-11,13,15-16H,4,8-9,12,17H2,1-3H3/p+1/t15-,16+/m0/s1