[(1S,2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-1-phenyl-butyl]azanium

Systemtic Name: [(1S,2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-1-phenyl-butyl]azanium Openeye Name: [(1S,2S)-2-[(1S,3R)-3-methylcyclohexoxy]-1-phenyl-butyl]ammonium CAS Name: [(1S,2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-1-phenylbutyl]ammonium IUPAC Name: [(1S,2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-1-phenylbutyl]azanium Traditional Name: [(1S,2S)-2-[(1S,3R)-3-methylcyclohexoxy]-1-phenyl-butyl]ammonium Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)[NH3+])OC2CCCC(C2)C

Isomeric SMILES

CC[C@@H]([C@H](C1=CC=CC=C1)[NH3+])O[C@H]2CCC[C@H](C2)C

InChI

InChI=1S/C17H27NO/c1-3-16(17(18)14-9-5-4-6-10-14)19-15-11-7-8-13(2)12-15/h4-6,9-10,13,15-17H,3,7-8,11-12,18H2,1-2H3/p+1/t13-,15+,16+,17+/m1/s1