methyl 5-(4-tert-butylphenyl)-3-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 5-(4-tert-butylphenyl)-3-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-2-carboxylate Openeye Name: methyl 5-(4-tert-butylphenyl)-3-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2-carboxylate CAS Name: 5-(4-tert-butylphenyl)-3-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-tert-butylphenyl)-3-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2-carboxylate Traditional Name: 5-(4-tert-butylphenyl)-3-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C23H30N2O3S/c1-23(2,3)17-10-8-16(9-11-17)19-14-18(21(29-19)22(27)28-4)24-20(26)15-25-12-6-5-7-13-25/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,24,26)/p+1