[(1S)-1-(4-propan-2-yloxyphenyl)-2-(1,2,4-triazol-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(4-propan-2-yloxyphenyl)-2-(1,2,4-triazol-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(4-isopropoxyphenyl)-2-(1,2,4-triazol-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(4-propan-2-yloxyphenyl)-2-(1,2,4-triazol-1-yl)ethyl]ammonium IUPAC Name: [(1S)-1-(4-propan-2-yloxyphenyl)-2-(1,2,4-triazol-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(4-isopropoxyphenyl)-2-(1,2,4-triazol-1-yl)ethyl]ammonium Formula: C13H19N4O+ MolecularWeight: 247.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CN2C=NC=N2)[NH3+]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@@H](CN2C=NC=N2)[NH3+]

InChI

InChI=1S/C13H18N4O/c1-10(2)18-12-5-3-11(4-6-12)13(14)7-17-9-15-8-16-17/h3-6,8-10,13H,7,14H2,1-2H3/p+1/t13-/m1/s1