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

Systemtic Name: 4-[4-[(4-phenyl-1,2,3-triazol-1-yl)methyl]piperidin-1-yl]pyrimidin-1-ium-2-amine Openeye Name: 4-[4-[(4-phenyltriazol-1-yl)methyl]-1-piperidyl]pyrimidin-1-ium-2-amine CAS Name: 4-[4-[(4-phenyl-1-triazolyl)methyl]-1-piperidinyl]-2-pyrimidin-1-iumamine IUPAC Name: 4-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]pyrimidin-1-ium-2-amine Traditional Name: [4-[4-[(4-phenyltriazol-1-yl)methyl]piperidino]pyrimidin-1-ium-2-yl]amine Formula: C18H22N7+ MolecularWeight: 336.41418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7/c19-18-20-9-6-17(21-18)24-10-7-14(8-11-24)12-25-13-16(22-23-25)15-4-2-1-3-5-15/h1-6,9,13-14H,7-8,10-12H2,(H2,19,20,21)/p+1