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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl-pentan-3-yl-azanium Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl-(1-ethylpropyl)ammonium CAS Name: (2-bromo-4,5-dimethoxyphenyl)methyl-pentan-3-ylammonium IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl-pentan-3-ylazanium Traditional Name: (2-bromo-4,5-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=C1Br)OC)OC

Isomeric SMILES

CCC(CC)[NH2+]CC1=CC(=C(C=C1Br)OC)OC

InChI

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