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

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

Systemtic Name:2-(3,4-dimethoxyphenyl)ethyl-[(2S)-octan-2-yl]azanium
Openeye Name:2-(3,4-dimethoxyphenyl)ethyl-[(1S)-1-methylheptyl]ammonium
CAS Name:2-(3,4-dimethoxyphenyl)ethyl-[(2S)-octan-2-yl]ammonium
IUPAC Name:2-(3,4-dimethoxyphenyl)ethyl-[(2S)-octan-2-yl]azanium
Traditional Name:homoveratryl-[(1S)-1-methylheptyl]ammonium
Formula: C18H32NO2+
MolecularWeight: 294.45218
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H31NO2/c1-5-6-7-8-9-15(2)19-13-12-16-10-11-17(20-3)18(14-16)21-4/h10-11,14-15,19H,5-9,12-13H2,1-4H3/p+1/t15-/m0/s1


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