(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methyl-(2-methylpropyl)azanium

Systemtic Name: (2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methyl-(2-methylpropyl)azanium Openeye Name: (2-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyl-isobutyl-ammonium CAS Name: (2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl-(2-methylpropyl)ammonium IUPAC Name: (2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl-(2-methylpropyl)azanium Traditional Name: (2-bromo-5-methoxy-4-propargyloxy-benzyl)-isobutyl-ammonium Formula: C15H21BrNO2+ MolecularWeight: 327.23674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO2/c1-5-6-19-15-8-13(16)12(7-14(15)18-4)10-17-9-11(2)3/h1,7-8,11,17H,6,9-10H2,2-4H3/p+1