[(3R)-3-(benzotriazol-1-yl)-3-(2-methylpropoxy)propyl]-bis(2-ethoxy-2-oxidanylidene-ethyl)azanium

Systemtic Name: [(3R)-3-(benzotriazol-1-yl)-3-(2-methylpropoxy)propyl]-bis(2-ethoxy-2-oxidanylidene-ethyl)azanium Openeye Name: [(3R)-3-(benzotriazol-1-yl)-3-isobutoxy-propyl]-bis(2-ethoxy-2-oxo-ethyl)ammonium CAS Name: [(3R)-3-(1-benzotriazolyl)-3-(2-methylpropoxy)propyl]-bis(2-ethoxy-2-oxoethyl)ammonium IUPAC Name: [(3R)-3-(benzotriazol-1-yl)-3-(2-methylpropoxy)propyl]-bis(2-ethoxy-2-oxoethyl)azanium Traditional Name: [(3R)-3-(benzotriazol-1-yl)-3-isobutoxy-propyl]-bis(2-ethoxy-2-keto-ethyl)ammonium Formula: C21H33N4O5+ MolecularWeight: 421.51052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+](CCC(N1C2=CC=CC=C2N=N1)OCC(C)C)CC(=O)OCC

Isomeric SMILES

CCOC(=O)C[NH+](CC[C@H](N1C2=CC=CC=C2N=N1)OCC(C)C)CC(=O)OCC

InChI

InChI=1S/C21H32N4O5/c1-5-28-20(26)13-24(14-21(27)29-6-2)12-11-19(30-15-16(3)4)25-18-10-8-7-9-17(18)22-23-25/h7-10,16,19H,5-6,11-15H2,1-4H3/p+1/t19-/m1/s1