(3-methoxy-4-propan-2-yloxy-phenyl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: (3-methoxy-4-propan-2-yloxy-phenyl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (4-isopropoxy-3-methoxy-phenyl)methyl-(3-pyridylmethyl)-(2-thienylmethyl)ammonium CAS Name: (3-methoxy-4-propan-2-yloxyphenyl)methyl-(3-pyridinylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (3-methoxy-4-propan-2-yloxyphenyl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (4-isopropoxy-3-methoxy-benzyl)-(3-pyridylmethyl)-(2-thenyl)ammonium Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C[NH+](CC2=CN=CC=C2)CC3=CC=CS3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C[NH+](CC2=CN=CC=C2)CC3=CC=CS3)OC

InChI

InChI=1S/C22H26N2O2S/c1-17(2)26-21-9-8-18(12-22(21)25-3)14-24(16-20-7-5-11-27-20)15-19-6-4-10-23-13-19/h4-13,17H,14-16H2,1-3H3/p+1