methyl 3-(furan-3-ylcarbonylamino)-5-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-(furan-3-ylcarbonylamino)-5-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonylamino]methyl]benzoate Openeye Name: methyl 3-(furan-3-carbonylamino)-5-[[[4-(piperidin-1-ium-1-ylmethyl)benzoyl]amino]methyl]benzoate CAS Name: 3-[[3-furanyl(oxo)methyl]amino]-5-[[[oxo-[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(furan-3-carbonylamino)-5-[[[4-(piperidin-1-ium-1-ylmethyl)benzoyl]amino]methyl]benzoate Traditional Name: 3-(3-furoylamino)-5-[[[4-(piperidin-1-ium-1-ylmethyl)benzoyl]amino]methyl]benzoic acid methyl ester Formula: C27H30N3O5+ MolecularWeight: 476.5442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=COC=C2)CNC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=COC=C2)CNC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C27H29N3O5/c1-34-27(33)23-13-20(14-24(15-23)29-26(32)22-9-12-35-18-22)16-28-25(31)21-7-5-19(6-8-21)17-30-10-3-2-4-11-30/h5-9,12-15,18H,2-4,10-11,16-17H2,1H3,(H,28,31)(H,29,32)/p+1