1-[(2-methylfuran-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium

Systemtic Name: 1-[(2-methylfuran-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium Openeye Name: 1-[(2-methyl-3-furyl)methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium CAS Name: 1-[(2-methyl-3-furanyl)methyl]-4-(2-pyrimidinyl)-1,4-diazepan-1-ium IUPAC Name: 1-[(2-methylfuran-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium Traditional Name: 1-[(2-methyl-3-furyl)methyl]-4-(2-pyrimidyl)-1,4-diazepan-1-ium Formula: C15H21N4O+ MolecularWeight: 273.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C[NH+]2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=CO1)C[NH+]2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C15H20N4O/c1-13-14(4-11-20-13)12-18-7-3-8-19(10-9-18)15-16-5-2-6-17-15/h2,4-6,11H,3,7-10,12H2,1H3/p+1