ethyl (6R)-2-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-2-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C)C(=O)OCC

InChI

InChI=1S/C20H31N3O3S/c1-4-22-8-10-23(11-9-22)13-17(24)21-19-18(20(25)26-5-2)15-7-6-14(3)12-16(15)27-19/h14H,4-13H2,1-3H3,(H,21,24)/p+1/t14-/m1/s1