methyl 2-[[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-(2-furylmethyl)piperazin-4-ium-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(furan-2-ylmethyl)piperazin-4-ium-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-(2-furfuryl)piperazin-4-ium-1-carbonyl]amino]benzoic acid methyl ester Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C18H21N3O4/c1-24-17(22)15-6-2-3-7-16(15)19-18(23)21-10-8-20(9-11-21)13-14-5-4-12-25-14/h2-7,12H,8-11,13H2,1H3,(H,19,23)/p+1