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2-(3,4-dimethoxyphenyl)ethyl-[(2S)-heptan-2-yl]azanium

2-(3,4-dimethoxyphenyl)ethyl-[(2S)-heptan-2-yl]azanium

Systemtic Name:2-(3,4-dimethoxyphenyl)ethyl-[(2S)-heptan-2-yl]azanium
Openeye Name:2-(3,4-dimethoxyphenyl)ethyl-[(1S)-1-methylhexyl]ammonium
CAS Name:2-(3,4-dimethoxyphenyl)ethyl-[(2S)-heptan-2-yl]ammonium
IUPAC Name:2-(3,4-dimethoxyphenyl)ethyl-[(2S)-heptan-2-yl]azanium
Traditional Name:homoveratryl-[(1S)-1-methylhexyl]ammonium
Formula: C17H30NO2+
MolecularWeight: 280.4256
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H29NO2/c1-5-6-7-8-14(2)18-12-11-15-9-10-16(19-3)17(13-15)20-4/h9-10,13-14,18H,5-8,11-12H2,1-4H3/p+1/t14-/m0/s1


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