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

Systemtic Name: N'-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N-(3-methylpyridin-1-ium-4-yl)ethane-1,2-diamine Openeye Name: N'-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N-(3-methylpyridin-1-ium-4-yl)ethane-1,2-diamine CAS Name: N'-[4-(1,3-dimethyl-4-pyrazolyl)-2-pyrimidinyl]-N-(3-methyl-4-pyridin-1-iumyl)ethane-1,2-diamine IUPAC Name: N'-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N-(3-methylpyridin-1-ium-4-yl)ethane-1,2-diamine Traditional Name: [4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-[2-[(3-methylpyridin-1-ium-4-yl)amino]ethyl]amine Formula: C17H22N7+ MolecularWeight: 324.40348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[NH+]=C1)NCCNC2=NC=CC(=N2)C3=CN(N=C3C)C

Isomeric SMILES

CC1=C(C=C[NH+]=C1)NCCNC2=NC=CC(=N2)C3=CN(N=C3C)C

InChI

InChI=1S/C17H21N7/c1-12-10-18-6-4-15(12)19-8-9-21-17-20-7-5-16(22-17)14-11-24(3)23-13(14)2/h4-7,10-11H,8-9H2,1-3H3,(H,18,19)(H,20,21,22)/p+1