4-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]morpholin-4-ium

Systemtic Name: 4-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]morpholin-4-ium Openeye Name: 4-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]morpholin-4-ium CAS Name: 4-[(1S)-1,3-bis(1-benzotriazolyl)propyl]morpholin-4-ium IUPAC Name: 4-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]morpholin-4-ium Traditional Name: 4-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]morpholin-4-ium Formula: C19H22N7O+ MolecularWeight: 364.42428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CCN2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1COCC[NH+]1[C@H](CCN2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H21N7O/c1-3-7-17-15(5-1)20-22-25(17)10-9-19(24-11-13-27-14-12-24)26-18-8-4-2-6-16(18)21-23-26/h1-8,19H,9-14H2/p+1/t19-/m0/s1