(5-bromanyl-2,4-dimethoxy-phenyl)methyl-pentan-3-yl-azanium

Systemtic Name: (5-bromanyl-2,4-dimethoxy-phenyl)methyl-pentan-3-yl-azanium Openeye Name: (5-bromo-2,4-dimethoxy-phenyl)methyl-(1-ethylpropyl)ammonium CAS Name: (5-bromo-2,4-dimethoxyphenyl)methyl-pentan-3-ylammonium IUPAC Name: (5-bromo-2,4-dimethoxyphenyl)methyl-pentan-3-ylazanium Traditional Name: (5-bromo-2,4-dimethoxy-benzyl)-(1-ethylpropyl)ammonium Formula: C14H23BrNO2+ MolecularWeight: 317.24192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC1=CC(=C(C=C1OC)OC)Br

Isomeric SMILES

CCC(CC)[NH2+]CC1=CC(=C(C=C1OC)OC)Br

InChI

InChI=1S/C14H22BrNO2/c1-5-11(6-2)16-9-10-7-12(15)14(18-4)8-13(10)17-3/h7-8,11,16H,5-6,9H2,1-4H3/p+1