N-(4-methoxyphenyl)-N'-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzenecarboximidamide bromide

Systemtic Name: N-(4-methoxyphenyl)-N'-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzenecarboximidamide bromide Openeye Name: N-(4-methoxyphenyl)-N'-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzamidine bromide CAS Name: N-(4-methoxyphenyl)-N'-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]benzenecarboximidamide bromide IUPAC Name: N-(4-methoxyphenyl)-N'-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]benzenecarboximidamide bromide Traditional Name: N-(4-methoxyphenyl)-N'-[4-(3-pyrrolidinopropoxy)phenyl]benzamidine bromide Formula: C27H31BrN3O2- MolecularWeight: 509.45794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCCCN3CCCC3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCCCN3CCCC3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H31N3O2.BrH/c1-31-25-14-10-23(11-15-25)28-27(22-8-3-2-4-9-22)29-24-12-16-26(17-13-24)32-21-7-20-30-18-5-6-19-30;/h2-4,8-17H,5-7,18-21H2,1H3,(H,28,29);1H/p-1