N-phenyl-N'-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzenecarboximidamide hydrate hydrobromide

Systemtic Name: N-phenyl-N'-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzenecarboximidamide hydrate hydrobromide Openeye Name: N-phenyl-N'-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzamidine hydrate hydrobromide CAS Name: N-phenyl-N'-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]benzenecarboximidamide hydrate hydrobromide IUPAC Name: N-phenyl-N'-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzenecarboximidamide hydrate hydrobromide Traditional Name: N-phenyl-N'-[4-(3-pyrrolidinopropoxy)phenyl]benzamidine hydrate hydrobromide Formula: C26H32BrN3O2 MolecularWeight: 498.45518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=CC=C(C=C2)N=C(C3=CC=CC=C3)NC4=CC=CC=C4.O.Br

Isomeric SMILES

C1CCN(C1)CCCOC2=CC=C(C=C2)N=C(C3=CC=CC=C3)NC4=CC=CC=C4.O.Br

InChI

InChI=1S/C26H29N3O.BrH.H2O/c1-3-10-22(11-4-1)26(27-23-12-5-2-6-13-23)28-24-14-16-25(17-15-24)30-21-9-20-29-18-7-8-19-29;;/h1-6,10-17H,7-9,18-21H2,(H,27,28);1H;1H2