[1-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]methylazanium

Systemtic Name: [1-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]methylazanium Openeye Name: [1-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]methylammonium CAS Name: [1-[1-[(2-phenyl-5-pyrimidinyl)methyl]-4-piperidin-1-iumyl]-4-triazolyl]methylammonium IUPAC Name: [1-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]methylazanium Traditional Name: [1-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]methylammonium Formula: C19H25N7+2 MolecularWeight: 351.4487

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)C[NH3+])CC3=CN=C(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C[NH3+])CC3=CN=C(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H23N7/c20-10-17-14-26(24-23-17)18-6-8-25(9-7-18)13-15-11-21-19(22-12-15)16-4-2-1-3-5-16/h1-5,11-12,14,18H,6-10,13,20H2/p+2