methyl 2-[4-(aminomethyl)cyclohexyl]carbonyloxy-5-carbamimidoyl-benzoate dihydrobromide

Systemtic Name: methyl 2-[4-(aminomethyl)cyclohexyl]carbonyloxy-5-carbamimidoyl-benzoate dihydrobromide Openeye Name: methyl 2-[4-(aminomethyl)cyclohexanecarbonyl]oxy-5-carbamimidoyl-benzoate dihydrobromide CAS Name: 2-[[4-(aminomethyl)cyclohexyl]-oxomethoxy]-5-carbamimidoylbenzoic acid methyl ester dihydrobromide IUPAC Name: methyl 2-[4-(aminomethyl)cyclohexanecarbonyl]oxy-5-carbamimidoylbenzoate dihydrobromide Traditional Name: 5-amidino-2-[4-(aminomethyl)cyclohexanecarbonyl]oxy-benzoic acid methyl ester dihydrobromide Formula: C17H25Br2N3O4 MolecularWeight: 495.2061

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(=N)N)OC(=O)C2CCC(CC2)CN.Br.Br

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(=N)N)OC(=O)C2CCC(CC2)CN.Br.Br

InChI

InChI=1S/C17H23N3O4.2BrH/c1-23-17(22)13-8-12(15(19)20)6-7-14(13)24-16(21)11-4-2-10(9-18)3-5-11;;/h6-8,10-11H,2-5,9,18H2,1H3,(H3,19,20);2*1H