[3-[4-(1,2,4-triazol-1-yl)butanoylamino]phenyl]methylazanium

Systemtic Name: [3-[4-(1,2,4-triazol-1-yl)butanoylamino]phenyl]methylazanium Openeye Name: [3-[4-(1,2,4-triazol-1-yl)butanoylamino]phenyl]methylammonium CAS Name: [3-[[1-oxo-4-(1,2,4-triazol-1-yl)butyl]amino]phenyl]methylammonium IUPAC Name: [3-[4-(1,2,4-triazol-1-yl)butanoylamino]phenyl]methylazanium Traditional Name: [3-[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(=C1)NC(=O)CCCN2C=NC=N2)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O/c14-8-11-3-1-4-12(7-11)17-13(19)5-2-6-18-10-15-9-16-18/h1,3-4,7,9-10H,2,5-6,8,14H2,(H,17,19)/p+1