(7-methoxy-1,3-benzodioxol-5-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-methyl-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C22H32N2O4+2 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=CC4=C(C(=C3)OC)OCO4

InChI

InChI=1S/C22H30N2O4/c1-16-4-5-19(28-16)14-24-8-6-17(7-9-24)12-23(2)13-18-10-20(25-3)22-21(11-18)26-15-27-22/h4-5,10-11,17H,6-9,12-15H2,1-3H3/p+2