(4-piperazin-1-ylcarbonylphenyl) 4-[bis(azanyl)methylideneamino]benzoate dihydrochloride

Systemtic Name: (4-piperazin-1-ylcarbonylphenyl) 4-[bis(azanyl)methylideneamino]benzoate dihydrochloride Openeye Name: [4-(piperazine-1-carbonyl)phenyl] 4-guanidinobenzoate dihydrochloride CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[oxo(1-piperazinyl)methyl]phenyl] ester dihydrochloride IUPAC Name: [4-(piperazine-1-carbonyl)phenyl] 4-(diaminomethylideneamino)benzoate dihydrochloride Traditional Name: 4-guanidinobenzoic acid [4-(piperazine-1-carbonyl)phenyl] ester dihydrochloride Formula: C19H23Cl2N5O3 MolecularWeight: 440.32362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N.Cl.Cl

InChI

InChI=1S/C19H21N5O3.2ClH/c20-19(21)23-15-5-1-14(2-6-15)18(26)27-16-7-3-13(4-8-16)17(25)24-11-9-22-10-12-24;;/h1-8,22H,9-12H2,(H4,20,21,23);2*1H