N-[(1R)-1-(1,2,4-triazol-1-yl)butyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(1R)-1-(1,2,4-triazol-1-yl)butyl]pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-(1,2,4-triazol-1-yl)butyl]pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-(1,2,4-triazol-1-yl)butyl]-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(1,2,4-triazol-1-yl)butyl]pyridin-1-ium-2-amine Traditional Name: pyridin-1-ium-2-yl-[(1R)-1-(1,2,4-triazol-1-yl)butyl]amine Formula: C11H16N5+ MolecularWeight: 218.27824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC1=CC=CC=[NH+]1)N2C=NC=N2

Isomeric SMILES

CCC[C@H](NC1=CC=CC=[NH+]1)N2C=NC=N2

InChI

InChI=1S/C11H15N5/c1-2-5-11(16-9-12-8-14-16)15-10-6-3-4-7-13-10/h3-4,6-9,11H,2,5H2,1H3,(H,13,15)/p+1/t11-/m1/s1