4-[4-[(dimethylazaniumyl)methyl]phenyl]-5-propyl-thiophene-2-carboxylate

Systemtic Name: 4-[4-[(dimethylazaniumyl)methyl]phenyl]-5-propyl-thiophene-2-carboxylate Openeye Name: 4-[4-[(dimethylammonio)methyl]phenyl]-5-propyl-thiophene-2-carboxylate CAS Name: 4-[4-[(dimethylammonio)methyl]phenyl]-5-propyl-2-thiophenecarboxylate IUPAC Name: 4-[4-[(dimethylazaniumyl)methyl]phenyl]-5-propylthiophene-2-carboxylate Traditional Name: 4-[4-[(dimethylammonio)methyl]phenyl]-5-propyl-2-thenoate Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)[O-])C2=CC=C(C=C2)C[NH+](C)C

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)[O-])C2=CC=C(C=C2)C[NH+](C)C

InChI

InChI=1S/C17H21NO2S/c1-4-5-15-14(10-16(21-15)17(19)20)13-8-6-12(7-9-13)11-18(2)3/h6-10H,4-5,11H2,1-3H3,(H,19,20)