methyl 3-[(4-prop-2-enylpiperazin-4-ium-1-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-prop-2-enylpiperazin-4-ium-1-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-allylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-(4-prop-2-enyl-1-piperazin-4-iumyl)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-prop-2-enylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-allylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C14H20N3O3S+ MolecularWeight: 310.3919

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)CC=C

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)CC=C

InChI

InChI=1S/C14H19N3O3S/c1-3-5-16-6-8-17(9-7-16)14(19)15-11-4-10-21-12(11)13(18)20-2/h3-4,10H,1,5-9H2,2H3,(H,15,19)/p+1