3-[(3-phenoxyphenyl)methylazaniumyl]-3-thiophen-2-yl-propanoate

Systemtic Name: 3-[(3-phenoxyphenyl)methylazaniumyl]-3-thiophen-2-yl-propanoate Openeye Name: 3-[(3-phenoxyphenyl)methylammonio]-3-(2-thienyl)propanoate CAS Name: 3-[(3-phenoxyphenyl)methylammonio]-3-thiophen-2-ylpropanoate IUPAC Name: 3-[(3-phenoxyphenyl)methylazaniumyl]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(3-phenoxybenzyl)ammonio]-3-(2-thienyl)propionate Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C[NH2+]C(CC(=O)[O-])C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C[NH2+]C(CC(=O)[O-])C3=CC=CS3

InChI

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