4-[[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[3-ethoxy-4-(2-thenyloxy)benzyl]ammonio]methyl]benzoate Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=CC=CS3

InChI

InChI=1S/C22H23NO4S/c1-2-26-21-12-17(7-10-20(21)27-15-19-4-3-11-28-19)14-23-13-16-5-8-18(9-6-16)22(24)25/h3-12,23H,2,13-15H2,1H3,(H,24,25)