(3-ethoxy-4-prop-2-ynoxy-phenyl)methyl-(phenylmethyl)azanium

Systemtic Name: (3-ethoxy-4-prop-2-ynoxy-phenyl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methyl]ammonium CAS Name: (3-ethoxy-4-prop-2-ynoxyphenyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-ethoxy-4-prop-2-ynoxyphenyl)methyl]azanium Traditional Name: benzyl-(3-ethoxy-4-propargyloxy-benzyl)ammonium Formula: C19H22NO2+ MolecularWeight: 296.38348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OCC#C

InChI

InChI=1S/C19H21NO2/c1-3-12-22-18-11-10-17(13-19(18)21-4-2)15-20-14-16-8-6-5-7-9-16/h1,5-11,13,20H,4,12,14-15H2,2H3/p+1