methyl 1-[[(4S)-4-methyl-2,5-bis(oxidanylidene)-4-thiophen-2-yl-imidazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[(4S)-4-methyl-2,5-bis(oxidanylidene)-4-thiophen-2-yl-imidazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[(4S)-4-methyl-2,5-dioxo-4-(2-thienyl)imidazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-yl-1-imidazolidinyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[(4S)-2,5-diketo-4-methyl-4-(2-thienyl)imidazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H22N3O4S+ MolecularWeight: 352.42858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1)C[NH+]2CCC(CC2)C(=O)OC)C3=CC=CS3

Isomeric SMILES

C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCC(CC2)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C16H21N3O4S/c1-16(12-4-3-9-24-12)14(21)19(15(22)17-16)10-18-7-5-11(6-8-18)13(20)23-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,22)/p+1/t16-/m1/s1