(4-methoxycarbonyl-5-methyl-furan-2-yl)methyl-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium

Systemtic Name: (4-methoxycarbonyl-5-methyl-furan-2-yl)methyl-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Openeye Name: (4-methoxycarbonyl-5-methyl-2-furyl)methyl-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium CAS Name: (4-methoxycarbonyl-5-methyl-2-furanyl)methyl-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]ammonium IUPAC Name: (4-methoxycarbonyl-5-methylfuran-2-yl)methyl-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Traditional Name: (4-carbomethoxy-5-methyl-2-furyl)methyl-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium Formula: C20H34N2O3+2 MolecularWeight: 350.49556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH2+]CC2(CCCCC2)[NH+]3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH2+]CC2(CCCCC2)[NH+]3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H32N2O3/c1-16-18(19(23)24-2)13-17(25-16)14-21-15-20(9-5-3-6-10-20)22-11-7-4-8-12-22/h13,21H,3-12,14-15H2,1-2H3/p+2