(5-chloranyl-2-oxidanyl-phenyl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (5-chloro-2-hydroxy-phenyl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: (5-chloro-2-hydroxyphenyl)methyl-methyl-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (5-chloro-2-hydroxyphenyl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: (5-chloro-2-hydroxy-benzyl)-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C20H29ClN2O2+2 MolecularWeight: 364.90946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C20H27ClN2O2/c1-15-3-5-19(25-15)14-23-9-7-16(8-10-23)12-22(2)13-17-11-18(21)4-6-20(17)24/h3-6,11,16,24H,7-10,12-14H2,1-2H3/p+2