N-(4-methoxyphenyl)-N'-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenecarboximidamide bromide

Systemtic Name: N-(4-methoxyphenyl)-N'-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenecarboximidamide bromide Openeye Name: N-(4-methoxyphenyl)-N'-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamidine bromide CAS Name: N-(4-methoxyphenyl)-N'-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzenecarboximidamide bromide IUPAC Name: N-(4-methoxyphenyl)-N'-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenecarboximidamide bromide Traditional Name: N-(4-methoxyphenyl)-N'-[4-(2-pyrrolidinoethoxy)phenyl]benzamidine bromide Formula: C26H29BrN3O2- MolecularWeight: 495.43136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCCN3CCCC3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCCN3CCCC3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H29N3O2.BrH/c1-30-24-13-9-22(10-14-24)27-26(21-7-3-2-4-8-21)28-23-11-15-25(16-12-23)31-20-19-29-17-5-6-18-29;/h2-4,7-16H,5-6,17-20H2,1H3,(H,27,28);1H/p-1