4-[(S)-phenyl(1,2,4-triazol-1-yl)methyl]morpholin-4-ium

Systemtic Name: 4-[(S)-phenyl(1,2,4-triazol-1-yl)methyl]morpholin-4-ium Openeye Name: 4-[(S)-phenyl(1,2,4-triazol-1-yl)methyl]morpholin-4-ium CAS Name: 4-[(S)-phenyl(1,2,4-triazol-1-yl)methyl]morpholin-4-ium IUPAC Name: 4-[(S)-phenyl(1,2,4-triazol-1-yl)methyl]morpholin-4-ium Traditional Name: 4-[(S)-phenyl(1,2,4-triazol-1-yl)methyl]morpholin-4-ium Formula: C13H17N4O+ MolecularWeight: 245.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C2=CC=CC=C2)N3C=NC=N3

Isomeric SMILES

C1COCC[NH+]1[C@H](C2=CC=CC=C2)N3C=NC=N3

InChI

InChI=1S/C13H16N4O/c1-2-4-12(5-3-1)13(17-11-14-10-15-17)16-6-8-18-9-7-16/h1-5,10-11,13H,6-9H2/p+1/t13-/m0/s1