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

Systemtic Name: (2-butyl-1H-imidazol-5-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (2-butyl-1H-imidazol-5-yl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: (2-butyl-1H-imidazol-5-yl)methyl-methyl-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (2-butyl-1H-imidazol-5-yl)methyl-methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: (2-butyl-1H-imidazol-5-yl)methyl-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C21H36N4O+2 MolecularWeight: 360.53674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+](C)CC2CC[NH+](CC2)CC3=CC=C(O3)C

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+](C)CC2CC[NH+](CC2)CC3=CC=C(O3)C

InChI

InChI=1S/C21H34N4O/c1-4-5-6-21-22-13-19(23-21)15-24(3)14-18-9-11-25(12-10-18)16-20-8-7-17(2)26-20/h7-8,13,18H,4-6,9-12,14-16H2,1-3H3,(H,22,23)/p+2