[4-[4-(1,2,4-triazol-1-yl)butanoylamino]phenyl]methylazanium

Systemtic Name: [4-[4-(1,2,4-triazol-1-yl)butanoylamino]phenyl]methylazanium Openeye Name: [4-[4-(1,2,4-triazol-1-yl)butanoylamino]phenyl]methylammonium CAS Name: [4-[[1-oxo-4-(1,2,4-triazol-1-yl)butyl]amino]phenyl]methylammonium IUPAC Name: [4-[4-(1,2,4-triazol-1-yl)butanoylamino]phenyl]methylazanium Traditional Name: [4-[4-(1,2,4-triazol-1-yl)butanoylamino]benzyl]ammonium Formula: C13H18N5O+ MolecularWeight: 260.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH3+])NC(=O)CCCN2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1C[NH3+])NC(=O)CCCN2C=NC=N2

InChI

InChI=1S/C13H17N5O/c14-8-11-3-5-12(6-4-11)17-13(19)2-1-7-18-10-15-9-16-18/h3-6,9-10H,1-2,7-8,14H2,(H,17,19)/p+1