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

Systemtic Name: methyl 4-[[[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-(2-furylmethyl)piperazin-4-ium-1-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(furan-2-ylmethyl)piperazin-4-ium-1-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[4-(2-furfuryl)piperazin-4-ium-1-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4/c1-25-18(23)16-6-4-15(5-7-16)13-20-19(24)22-10-8-21(9-11-22)14-17-3-2-12-26-17/h2-7,12H,8-11,13-14H2,1H3,(H,20,24)/p+1