1-pyrimidin-2-yl-4-[(2R)-2-(1,2,4-triazol-1-yl)propyl]-1,4-diazepan-4-ium

Systemtic Name: 1-pyrimidin-2-yl-4-[(2R)-2-(1,2,4-triazol-1-yl)propyl]-1,4-diazepan-4-ium Openeye Name: 1-pyrimidin-2-yl-4-[(2R)-2-(1,2,4-triazol-1-yl)propyl]-1,4-diazepan-4-ium CAS Name: 1-(2-pyrimidinyl)-4-[(2R)-2-(1,2,4-triazol-1-yl)propyl]-1,4-diazepan-4-ium IUPAC Name: 1-pyrimidin-2-yl-4-[(2R)-2-(1,2,4-triazol-1-yl)propyl]-1,4-diazepan-4-ium Traditional Name: 1-(2-pyrimidyl)-4-[(2R)-2-(1,2,4-triazol-1-yl)propyl]-1,4-diazepan-4-ium Formula: C14H22N7+ MolecularWeight: 288.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCN(CC1)C2=NC=CC=N2)N3C=NC=N3

Isomeric SMILES

C[C@H](C[NH+]1CCCN(CC1)C2=NC=CC=N2)N3C=NC=N3

InChI

InChI=1S/C14H21N7/c1-13(21-12-15-11-18-21)10-19-6-3-7-20(9-8-19)14-16-4-2-5-17-14/h2,4-5,11-13H,3,6-10H2,1H3/p+1/t13-/m1/s1