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

Systemtic Name: 2,1,3-benzoxadiazol-4-ylmethyl-[(1S)-1-(5-methyl-1-naphthalen-1-yl-pyrazol-4-yl)ethyl]azanium Openeye Name: 2,1,3-benzoxadiazol-4-ylmethyl-[(1S)-1-[5-methyl-1-(1-naphthyl)pyrazol-4-yl]ethyl]ammonium CAS Name: 2,1,3-benzoxadiazol-4-ylmethyl-[(1S)-1-[5-methyl-1-(1-naphthalenyl)-4-pyrazolyl]ethyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-4-ylmethyl-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]azanium Traditional Name: benzofurazan-4-ylmethyl-[(1S)-1-[5-methyl-1-(1-naphthyl)pyrazol-4-yl]ethyl]ammonium Formula: C23H22N5O+ MolecularWeight: 384.45368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC3=CC=CC=C32)C(C)[NH2+]CC4=CC=CC5=NON=C54

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC3=CC=CC=C32)[C@H](C)[NH2+]CC4=CC=CC5=NON=C54

InChI

InChI=1S/C23H21N5O/c1-15(24-13-18-9-5-11-21-23(18)27-29-26-21)20-14-25-28(16(20)2)22-12-6-8-17-7-3-4-10-19(17)22/h3-12,14-15,24H,13H2,1-2H3/p+1/t15-/m0/s1