phenyl 4-[bis(azanyl)methylideneamino]-2-piperazin-1-ylcarbonyl-benzoate dihydrochloride

Systemtic Name: phenyl 4-[bis(azanyl)methylideneamino]-2-piperazin-1-ylcarbonyl-benzoate dihydrochloride Openeye Name: phenyl 4-guanidino-2-(piperazine-1-carbonyl)benzoate dihydrochloride CAS Name: 4-(diaminomethylideneamino)-2-[oxo(1-piperazinyl)methyl]benzoic acid phenyl ester dihydrochloride IUPAC Name: phenyl 4-(diaminomethylideneamino)-2-(piperazine-1-carbonyl)benzoate dihydrochloride Traditional Name: 4-guanidino-2-(piperazine-1-carbonyl)benzoic acid phenyl ester dihydrochloride Formula: C19H23Cl2N5O3 MolecularWeight: 440.32362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=C(C=CC(=C2)N=C(N)N)C(=O)OC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C(=O)C2=C(C=CC(=C2)N=C(N)N)C(=O)OC3=CC=CC=C3.Cl.Cl

InChI

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