bis[(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl]azanium

Systemtic Name: bis[(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl]azanium Openeye Name: bis[(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl]ammonium CAS Name: bis[(1R)-1-(1-benzotriazolyl)-2,2-dimethylpropyl]ammonium IUPAC Name: bis[(1R)-1-(benzotriazol-1-yl)-2,2-dimethylpropyl]azanium Traditional Name: bis[(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl]ammonium Formula: C22H30N7+ MolecularWeight: 392.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C([NH2+]C(C(C)(C)C)N1C2=CC=CC=C2N=N1)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)(C)[C@H]([NH2+][C@@H](C(C)(C)C)N1C2=CC=CC=C2N=N1)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H29N7/c1-21(2,3)19(28-17-13-9-7-11-15(17)24-26-28)23-20(22(4,5)6)29-18-14-10-8-12-16(18)25-27-29/h7-14,19-20,23H,1-6H3/p+1/t19-,20-/m1/s1