ethyl 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O3S+ MolecularWeight: 366.49822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C18H27N3O3S/c1-3-24-18(23)21-10-8-20(9-11-21)12-15-14-6-4-5-7-16(14)25-17(15)19-13(2)22/h3-12H2,1-2H3,(H,19,22)/p+1