[(2S)-heptan-2-yl]-[2-(4-methoxyphenyl)ethyl]azanium

Systemtic Name: [(2S)-heptan-2-yl]-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: 2-(4-methoxyphenyl)ethyl-[(1S)-1-methylhexyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: 2-(4-methoxyphenyl)ethyl-[(1S)-1-methylhexyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CCC1=CC=C(C=C1)OC

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CCC1=CC=C(C=C1)OC

InChI

InChI=1S/C16H27NO/c1-4-5-6-7-14(2)17-13-12-15-8-10-16(18-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3/p+1/t14-/m0/s1