2-(4-chlorophenyl)ethyl-[N-phenyl-N'-(4-prop-2-enoxyphenyl)carbamimidoyl]azanium bromide

Systemtic Name: 2-(4-chlorophenyl)ethyl-[N-phenyl-N'-(4-prop-2-enoxyphenyl)carbamimidoyl]azanium bromide Openeye Name: [N'-(4-allyloxyphenyl)-N-phenyl-carbamimidoyl]-[2-(4-chlorophenyl)ethyl]ammonium bromide CAS Name: [anilino-(4-prop-2-enoxyphenyl)iminomethyl]-[2-(4-chlorophenyl)ethyl]ammonium bromide IUPAC Name: 2-(4-chlorophenyl)ethyl-[N-phenyl-N'-(4-prop-2-enoxyphenyl)carbamimidoyl]azanium bromide Traditional Name: [N'-(4-allyloxyphenyl)-N-phenyl-amidino]-[2-(4-chlorophenyl)ethyl]ammonium bromide Formula: C24H25BrClN3O MolecularWeight: 486.8318

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)N=C([NH2+]CCC2=CC=C(C=C2)Cl)NC3=CC=CC=C3.[Br-]

Isomeric SMILES

C=CCOC1=CC=C(C=C1)N=C([NH2+]CCC2=CC=C(C=C2)Cl)NC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C24H24ClN3O.BrH/c1-2-18-29-23-14-12-22(13-15-23)28-24(27-21-6-4-3-5-7-21)26-17-16-19-8-10-20(25)11-9-19;/h2-15H,1,16-18H2,(H2,26,27,28);1H