prop-2-ynyl-[(2,3,4-trimethoxyphenyl)methyl]azanium

Systemtic Name: prop-2-ynyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Openeye Name: prop-2-ynyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium CAS Name: prop-2-ynyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium IUPAC Name: prop-2-ynyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Traditional Name: propargyl-(2,3,4-trimethoxybenzyl)ammonium Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH2+]CC#C)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH2+]CC#C)OC)OC

InChI

InChI=1S/C13H17NO3/c1-5-8-14-9-10-6-7-11(15-2)13(17-4)12(10)16-3/h1,6-7,14H,8-9H2,2-4H3/p+1