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

Systemtic Name: 4-[[[4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[4-(2-thienylmethoxy)phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[4-(thiophen-2-ylmethoxy)phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[4-(2-thenyloxy)benzyl]ammonio]methyl]benzoate Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)COC2=CC=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)COC2=CC=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H19NO3S/c22-20(23)17-7-3-15(4-8-17)12-21-13-16-5-9-18(10-6-16)24-14-19-2-1-11-25-19/h1-11,21H,12-14H2,(H,22,23)