methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(thiophene-2-carbonylamino)benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(2-thenoylamino)benzoic acid methyl ester Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O3S/c1-20-7-9-21(10-8-20)15-6-5-13(18(23)24-2)12-14(15)19-17(22)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,22)/p+1