methyl 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C16H19N4O3S+ MolecularWeight: 347.41206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H18N4O3S/c1-23-15(21)14-12(5-11-24-14)18-16(22)20-9-7-19(8-10-20)13-4-2-3-6-17-13/h2-6,11H,7-10H2,1H3,(H,18,22)/p+1