(2-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methyl-phenethyl-azanium

Systemtic Name: (2-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methyl-phenethyl-azanium Openeye Name: (2-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methyl-phenethyl-ammonium CAS Name: (2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl-phenethylammonium IUPAC Name: (2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl-phenethylazanium Traditional Name: (2-bromo-5-ethoxy-4-propargyloxy-benzyl)-phenethyl-ammonium Formula: C20H23BrNO2+ MolecularWeight: 389.30612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C[NH2+]CCC2=CC=CC=C2)Br)OCC#C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C[NH2+]CCC2=CC=CC=C2)Br)OCC#C

InChI

InChI=1S/C20H22BrNO2/c1-3-12-24-20-14-18(21)17(13-19(20)23-4-2)15-22-11-10-16-8-6-5-7-9-16/h1,5-9,13-14,22H,4,10-12,15H2,2H3/p+1