ethyl 4,5-dimethyl-2-[2-(4-propylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(4-propylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(4-propylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(4-propyl-1-piperazin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(4-propylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(4-propylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

Isomeric SMILES

CCCN1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

InChI

InChI=1S/C18H29N3O3S/c1-5-7-20-8-10-21(11-9-20)12-15(22)19-17-16(18(23)24-6-2)13(3)14(4)25-17/h5-12H2,1-4H3,(H,19,22)/p+1