N'-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N-(5-methylpyridin-1-ium-2-yl)propane-1,3-diamine

Systemtic Name: N'-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N-(5-methylpyridin-1-ium-2-yl)propane-1,3-diamine Openeye Name: N'-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N-(5-methylpyridin-1-ium-2-yl)propane-1,3-diamine CAS Name: N'-[4-(1,3-dimethyl-4-pyrazolyl)-2-pyrimidinyl]-N-(5-methyl-2-pyridin-1-iumyl)propane-1,3-diamine IUPAC Name: N'-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N-(5-methylpyridin-1-ium-2-yl)propane-1,3-diamine Traditional Name: [4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-[3-[(5-methylpyridin-1-ium-2-yl)amino]propyl]amine Formula: C18H24N7+ MolecularWeight: 338.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NCCCNC2=NC=CC(=N2)C3=CN(N=C3C)C

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NCCCNC2=NC=CC(=N2)C3=CN(N=C3C)C

InChI

InChI=1S/C18H23N7/c1-13-5-6-17(22-11-13)19-8-4-9-20-18-21-10-7-16(23-18)15-12-25(3)24-14(15)2/h5-7,10-12H,4,8-9H2,1-3H3,(H,19,22)(H,20,21,23)/p+1