1-methyl-4-[3-methyl-3-(5-methylfuran-2-yl)butyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-[3-methyl-3-(5-methylfuran-2-yl)butyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[3-methyl-3-(5-methyl-2-furyl)butyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[3-methyl-3-(5-methyl-2-furanyl)butyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[3-methyl-3-(5-methylfuran-2-yl)butyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-[3-methyl-3-(5-methyl-2-furyl)butyl]-1,4-diazepane-1,4-diium Formula: C16H30N2O+2 MolecularWeight: 266.4222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)(C)CC[NH+]2CCC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(O1)C(C)(C)CC[NH+]2CCC[NH+](CC2)C

InChI

InChI=1S/C16H28N2O/c1-14-6-7-15(19-14)16(2,3)8-11-18-10-5-9-17(4)12-13-18/h6-7H,5,8-13H2,1-4H3/p+2