4-[4-(4-phenyl-1,2,3-triazol-1-yl)piperidin-1-yl]pyrimidin-1-ium-2-amine

Systemtic Name: 4-[4-(4-phenyl-1,2,3-triazol-1-yl)piperidin-1-yl]pyrimidin-1-ium-2-amine Openeye Name: 4-[4-(4-phenyltriazol-1-yl)-1-piperidyl]pyrimidin-1-ium-2-amine CAS Name: 4-[4-(4-phenyl-1-triazolyl)-1-piperidinyl]-2-pyrimidin-1-iumamine IUPAC Name: 4-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyrimidin-1-ium-2-amine Traditional Name: [4-[4-(4-phenyltriazol-1-yl)piperidino]pyrimidin-1-ium-2-yl]amine Formula: C17H20N7+ MolecularWeight: 322.3876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C(N=N2)C3=CC=CC=C3)C4=NC(=[NH+]C=C4)N

Isomeric SMILES

C1CN(CCC1N2C=C(N=N2)C3=CC=CC=C3)C4=NC(=[NH+]C=C4)N

InChI

InChI=1S/C17H19N7/c18-17-19-9-6-16(20-17)23-10-7-14(8-11-23)24-12-15(21-22-24)13-4-2-1-3-5-13/h1-6,9,12,14H,7-8,10-11H2,(H2,18,19,20)/p+1