2,1,3-benzoxadiazol-5-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: benzofurazan-5-ylmethyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C19H20N5O+ MolecularWeight: 334.395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC4=NON=C4C=C3

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C19H19N5O/c1-13(20-11-15-8-9-18-19(10-15)23-25-22-18)17-12-21-24(14(17)2)16-6-4-3-5-7-16/h3-10,12-13,20H,11H2,1-2H3/p+1/t13-/m0/s1