2-[[(E)-(3-morpholin-4-ylpropylamino)methylideneamino]methylamino]benzoate trihydrochloride

Systemtic Name: 2-[[(E)-(3-morpholin-4-ylpropylamino)methylideneamino]methylamino]benzoate trihydrochloride Openeye Name: 2-[[(E)-(3-morpholinopropylamino)methyleneamino]methylamino]benzoate trihydrochloride CAS Name: 2-[[(E)-[3-(4-morpholinyl)propylamino]methylideneamino]methylamino]benzoate trihydrochloride IUPAC Name: 2-[[(E)-(3-morpholin-4-ylpropylamino)methylideneamino]methylamino]benzoate trihydrochloride Traditional Name: 2-[[(E)-(3-morpholinopropylamino)methyleneamino]methylamino]benzoate trihydrochloride Formula: C16H26Cl3N4O3- MolecularWeight: 428.76164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC=NCNC2=CC=CC=C2C(=O)[O-].Cl.Cl.Cl

Isomeric SMILES

C1COCCN1CCCN/C=N/CNC2=CC=CC=C2C(=O)[O-].Cl.Cl.Cl

InChI

InChI=1S/C16H24N4O3.3ClH/c21-16(22)14-4-1-2-5-15(14)19-13-18-12-17-6-3-7-20-8-10-23-11-9-20;;;/h1-2,4-5,12,19H,3,6-11,13H2,(H,17,18)(H,21,22);3*1H/p-1