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

Systemtic Name: ethyl 4-[[2-[(4-methoxyphenyl)carbonylamino]-4,5-dimethyl-thiophen-3-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-[(4-methoxybenzoyl)amino]-4,5-dimethyl-3-thienyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-[[(4-methoxyphenyl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-methoxybenzoyl)amino]-4,5-dimethylthiophen-3-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[4,5-dimethyl-2-(p-anisoylamino)-3-thienyl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-5-29-22(27)25-12-10-24(11-13-25)14-19-15(2)16(3)30-21(19)23-20(26)17-6-8-18(28-4)9-7-17/h6-9H,5,10-14H2,1-4H3,(H,23,26)/p+1