[(2S)-heptan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium

Systemtic Name: [(2S)-heptan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium Openeye Name: [(1R)-1-(2-methoxyphenyl)ethyl]-[(1S)-1-methylhexyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[(1R)-1-(2-methoxyphenyl)ethyl]azanium Traditional Name: [(1R)-1-(2-methoxyphenyl)ethyl]-[(1S)-1-methylhexyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]C(C)C1=CC=CC=C1OC

Isomeric SMILES

CCCCC[C@H](C)[NH2+][C@H](C)C1=CC=CC=C1OC

InChI

InChI=1S/C16H27NO/c1-5-6-7-10-13(2)17-14(3)15-11-8-9-12-16(15)18-4/h8-9,11-14,17H,5-7,10H2,1-4H3/p+1/t13-,14+/m0/s1