1-methyl-4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-[(5-methyl-2-furyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[(5-methyl-2-furanyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-[(5-methyl-2-furyl)methyl]-1,4-diazepan-1-ium Formula: C12H21N2O+ MolecularWeight: 209.30794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2CCC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(O1)CN2CCC[NH+](CC2)C

InChI

InChI=1S/C12H20N2O/c1-11-4-5-12(15-11)10-14-7-3-6-13(2)8-9-14/h4-5H,3,6-10H2,1-2H3/p+1