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

Systemtic Name: 4-[4-[[4-(phenylmethyl)-1,2,3-triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-1-ium-2-amine Openeye Name: 4-[4-[(4-benzyltriazol-1-yl)methyl]-1-piperidyl]pyrimidin-1-ium-2-amine CAS Name: 4-[4-[[4-(phenylmethyl)-1-triazolyl]methyl]-1-piperidinyl]-2-pyrimidin-1-iumamine IUPAC Name: 4-[4-[(4-benzyltriazol-1-yl)methyl]piperidin-1-yl]pyrimidin-1-ium-2-amine Traditional Name: [4-[4-[(4-benzyltriazol-1-yl)methyl]piperidino]pyrimidin-1-ium-2-yl]amine Formula: C19H24N7+ MolecularWeight: 350.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C=C(N=N2)CC3=CC=CC=C3)C4=NC(=[NH+]C=C4)N

Isomeric SMILES

C1CN(CCC1CN2C=C(N=N2)CC3=CC=CC=C3)C4=NC(=[NH+]C=C4)N

InChI

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