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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-heptan-4-yl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-(1-propylbutyl)ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-heptan-4-ylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-heptan-4-ylazanium Traditional Name: homoveratryl(1-propylbutyl)ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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