ethyl 4-[(2-benzamido-4,5-dimethyl-thiophen-3-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2-benzamido-4,5-dimethyl-thiophen-3-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2-benzamido-4,5-dimethyl-3-thienyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-benzamido-4,5-dimethyl-3-thiophenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzamido-4,5-dimethylthiophen-3-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2-benzamido-4,5-dimethyl-3-thienyl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H28N3O3S+ MolecularWeight: 402.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(SC(=C2C)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(SC(=C2C)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-4-27-21(26)24-12-10-23(11-13-24)14-18-15(2)16(3)28-20(18)22-19(25)17-8-6-5-7-9-17/h5-9H,4,10-14H2,1-3H3,(H,22,25)/p+1