[(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [(1S)-1-(1-benzotriazolyl)-2-methylpropyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [(1S)-1-(benzotriazol-1-yl)-2-methylpropyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]-(2-furfuryl)-methyl-ammonium Formula: C16H21N4O+ MolecularWeight: 285.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(N1C2=CC=CC=C2N=N1)[NH+](C)CC3=CC=CO3

Isomeric SMILES

CC(C)[C@H](N1C2=CC=CC=C2N=N1)[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C16H20N4O/c1-12(2)16(19(3)11-13-7-6-10-21-13)20-15-9-5-4-8-14(15)17-18-20/h4-10,12,16H,11H2,1-3H3/p+1/t16-/m0/s1