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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C19H23N3O4/c1-2-25-18(23)15-5-7-16(8-6-15)20-19(24)22-11-9-21(10-12-22)14-17-4-3-13-26-17/h3-8,13H,2,9-12,14H2,1H3,(H,20,24)/p+1