(4-carbamimidoyl-2-methoxy-phenyl) 4-(aminomethyl)benzoate dihydrobromide

Systemtic Name: (4-carbamimidoyl-2-methoxy-phenyl) 4-(aminomethyl)benzoate dihydrobromide Openeye Name: (4-carbamimidoyl-2-methoxy-phenyl) 4-(aminomethyl)benzoate dihydrobromide CAS Name: 4-(aminomethyl)benzoic acid (4-carbamimidoyl-2-methoxyphenyl) ester dihydrobromide IUPAC Name: (4-carbamimidoyl-2-methoxyphenyl) 4-(aminomethyl)benzoate dihydrobromide Traditional Name: 4-(aminomethyl)benzoic acid (4-amidino-2-methoxy-phenyl) ester dihydrobromide Formula: C16H19Br2N3O3 MolecularWeight: 461.14836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=N)N)OC(=O)C2=CC=C(C=C2)CN.Br.Br

Isomeric SMILES

COC1=C(C=CC(=C1)C(=N)N)OC(=O)C2=CC=C(C=C2)CN.Br.Br

InChI

InChI=1S/C16H17N3O3.2BrH/c1-21-14-8-12(15(18)19)6-7-13(14)22-16(20)11-4-2-10(9-17)3-5-11;;/h2-8H,9,17H2,1H3,(H3,18,19);2*1H