(5-bromanyl-2-prop-2-ynoxy-phenyl)methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: (5-bromanyl-2-prop-2-ynoxy-phenyl)methyl-[(4-methylphenyl)methyl]azanium Openeye Name: (5-bromo-2-prop-2-ynoxy-phenyl)methyl-(p-tolylmethyl)ammonium CAS Name: (5-bromo-2-prop-2-ynoxyphenyl)methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: (5-bromo-2-prop-2-ynoxyphenyl)methyl-[(4-methylphenyl)methyl]azanium Traditional Name: (5-bromo-2-propargyloxy-benzyl)-(4-methylbenzyl)ammonium Formula: C18H19BrNO+ MolecularWeight: 345.25356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]CC2=C(C=CC(=C2)Br)OCC#C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+]CC2=C(C=CC(=C2)Br)OCC#C

InChI

InChI=1S/C18H18BrNO/c1-3-10-21-18-9-8-17(19)11-16(18)13-20-12-15-6-4-14(2)5-7-15/h1,4-9,11,20H,10,12-13H2,2H3/p+1