10-[(3R)-3-(benzotriazol-1-yl)-3-(2-methylpropoxy)propyl]-1,4,7-trioxa-10-azoniacyclododecane

Systemtic Name: 10-[(3R)-3-(benzotriazol-1-yl)-3-(2-methylpropoxy)propyl]-1,4,7-trioxa-10-azoniacyclododecane Openeye Name: 10-[(3R)-3-(benzotriazol-1-yl)-3-isobutoxy-propyl]-1,4,7-trioxa-10-azoniacyclododecane CAS Name: 10-[(3R)-3-(1-benzotriazolyl)-3-(2-methylpropoxy)propyl]-1,4,7-trioxa-10-azoniacyclododecane IUPAC Name: 10-[(3R)-3-(benzotriazol-1-yl)-3-(2-methylpropoxy)propyl]-1,4,7-trioxa-10-azoniacyclododecane Traditional Name: 10-[(3R)-3-(benzotriazol-1-yl)-3-isobutoxy-propyl]-1,4,7-trioxa-10-azoniacyclododecane Formula: C21H35N4O4+ MolecularWeight: 407.527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(CC[NH+]1CCOCCOCCOCC1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)CO[C@H](CC[NH+]1CCOCCOCCOCC1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H34N4O4/c1-18(2)17-29-21(25-20-6-4-3-5-19(20)22-23-25)7-8-24-9-11-26-13-15-28-16-14-27-12-10-24/h3-6,18,21H,7-17H2,1-2H3/p+1/t21-/m1/s1