N'-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N-(3-methylpyridin-1-ium-4-yl)ethane-1,2-diamine

Systemtic Name: N'-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N-(3-methylpyridin-1-ium-4-yl)ethane-1,2-diamine Openeye Name: N'-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N-(3-methylpyridin-1-ium-4-yl)ethane-1,2-diamine CAS Name: N'-[4-(1-methyl-4-pyrazolyl)-2-pyrimidinyl]-N-(3-methyl-4-pyridin-1-iumyl)ethane-1,2-diamine IUPAC Name: N'-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N-(3-methylpyridin-1-ium-4-yl)ethane-1,2-diamine Traditional Name: [4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-[2-[(3-methylpyridin-1-ium-4-yl)amino]ethyl]amine Formula: C16H20N7+ MolecularWeight: 310.3769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[NH+]=C1)NCCNC2=NC=CC(=N2)C3=CN(N=C3)C

Isomeric SMILES

CC1=C(C=C[NH+]=C1)NCCNC2=NC=CC(=N2)C3=CN(N=C3)C

InChI

InChI=1S/C16H19N7/c1-12-9-17-5-3-14(12)18-7-8-20-16-19-6-4-15(22-16)13-10-21-23(2)11-13/h3-6,9-11H,7-8H2,1-2H3,(H,17,18)(H,19,20,22)/p+1