(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: (5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: (5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-methyl-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: (5-carbethoxy-1H-pyrazol-4-yl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C20H32N4O3+2 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+](C)CC2CC[NH+](CC2)CC3=CC=C(O3)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+](C)CC2CC[NH+](CC2)CC3=CC=C(O3)C

InChI

InChI=1S/C20H30N4O3/c1-4-26-20(25)19-17(11-21-22-19)13-23(3)12-16-7-9-24(10-8-16)14-18-6-5-15(2)27-18/h5-6,11,16H,4,7-10,12-14H2,1-3H3,(H,21,22)/p+2