2-thiophen-2-ylethyl-[(2,3,4-trimethoxyphenyl)methyl]azanium

Systemtic Name: 2-thiophen-2-ylethyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Openeye Name: 2-(2-thienyl)ethyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium CAS Name: 2-thiophen-2-ylethyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium IUPAC Name: 2-thiophen-2-ylethyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Traditional Name: 2-(2-thienyl)ethyl-(2,3,4-trimethoxybenzyl)ammonium Formula: C16H22NO3S+ MolecularWeight: 308.41578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH2+]CCC2=CC=CS2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH2+]CCC2=CC=CS2)OC)OC

InChI

InChI=1S/C16H21NO3S/c1-18-14-7-6-12(15(19-2)16(14)20-3)11-17-9-8-13-5-4-10-21-13/h4-7,10,17H,8-9,11H2,1-3H3/p+1