(3-methoxy-4-prop-2-ynoxy-phenyl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: (3-methoxy-4-prop-2-ynoxy-phenyl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (3-methoxy-4-prop-2-ynoxy-phenyl)methyl-(3-pyridylmethyl)-(2-thienylmethyl)ammonium CAS Name: (3-methoxy-4-prop-2-ynoxyphenyl)methyl-(3-pyridinylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (3-methoxy-4-prop-2-ynoxyphenyl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (3-methoxy-4-propargyloxy-benzyl)-(3-pyridylmethyl)-(2-thenyl)ammonium Formula: C22H23N2O2S+ MolecularWeight: 379.49522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+](CC2=CN=CC=C2)CC3=CC=CS3)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+](CC2=CN=CC=C2)CC3=CC=CS3)OCC#C

InChI

InChI=1S/C22H22N2O2S/c1-3-11-26-21-9-8-18(13-22(21)25-2)15-24(17-20-7-5-12-27-20)16-19-6-4-10-23-14-19/h1,4-10,12-14H,11,15-17H2,2H3/p+1