1-(2-methylpyridin-1-ium-4-yl)-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium

Systemtic Name: 1-(2-methylpyridin-1-ium-4-yl)-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium Openeye Name: 1-(2-methylpyridin-1-ium-4-yl)-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium CAS Name: 1-(2-methyl-4-pyridin-1-iumyl)-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium IUPAC Name: 1-(2-methylpyridin-1-ium-4-yl)-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium Traditional Name: 1-(2-methylpyridin-1-ium-4-yl)-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium Formula: C15H23N5+2 MolecularWeight: 273.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=CC(=C1)N2CCC[NH+](CC2)CC3=CC=NN3

Isomeric SMILES

CC1=[NH+]C=CC(=C1)N2CCC[NH+](CC2)CC3=CC=NN3

InChI

InChI=1S/C15H21N5/c1-13-11-15(4-5-16-13)20-8-2-7-19(9-10-20)12-14-3-6-17-18-14/h3-6,11H,2,7-10,12H2,1H3,(H,17,18)/p+2