3-[[4-(diethylamino)phenyl]methylazaniumyl]-3-thiophen-2-yl-propanoate

Systemtic Name: 3-[[4-(diethylamino)phenyl]methylazaniumyl]-3-thiophen-2-yl-propanoate Openeye Name: 3-[[4-(diethylamino)phenyl]methylammonio]-3-(2-thienyl)propanoate CAS Name: 3-[[4-(diethylamino)phenyl]methylammonio]-3-thiophen-2-ylpropanoate IUPAC Name: 3-[[4-(diethylamino)phenyl]methylazaniumyl]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-(diethylamino)benzyl]ammonio]-3-(2-thienyl)propionate Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C[NH2+]C(CC(=O)[O-])C2=CC=CS2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C[NH2+]C(CC(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C18H24N2O2S/c1-3-20(4-2)15-9-7-14(8-10-15)13-19-16(12-18(21)22)17-6-5-11-23-17/h5-11,16,19H,3-4,12-13H2,1-2H3,(H,21,22)