1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-1,4-diazepan-4-ium

Systemtic Name: 1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-1,4-diazepan-4-ium CAS Name: 1-[4-(chloromethyl)-2,5-dimethyl-3-pyrazolyl]-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-[4-(chloromethyl)-2,5-dimethylpyrazol-3-yl]-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-1,4-diazepan-4-ium Formula: C12H22ClN4+ MolecularWeight: 257.78288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCl)N2CCC[NH+](CC2)C)C

Isomeric SMILES

CC1=NN(C(=C1CCl)N2CCC[NH+](CC2)C)C

InChI

InChI=1S/C12H21ClN4/c1-10-11(9-13)12(16(3)14-10)17-6-4-5-15(2)7-8-17/h4-9H2,1-3H3/p+1