methyl 2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-ethyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylpiperazine-1,4-diium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H29N3O3S+2 MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

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