[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-methoxyphenyl)ethyl]azanium

Systemtic Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: [3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: [3-ethoxy-4-(2-thenyloxy)benzyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C23H28NO3S+ MolecularWeight: 398.53832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)OC)OCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)OC)OCC3=CC=CS3

InChI

InChI=1S/C23H27NO3S/c1-3-26-23-15-19(8-11-22(23)27-17-21-5-4-14-28-21)16-24-13-12-18-6-9-20(25-2)10-7-18/h4-11,14-15,24H,3,12-13,16-17H2,1-2H3/p+1