(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidine-3-carboxamide dihydrochloride

Systemtic Name: (3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidine-3-carboxamide dihydrochloride Openeye Name: (3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-pyrrolidine-3-carboxamide dihydrochloride CAS Name: (3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-pyrrolidinecarboxamide dihydrochloride IUPAC Name: (3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide dihydrochloride Traditional Name: (3S)-1-(3-amidinobenzyl)-2-keto-pyrrolidine-3-carboxamide dihydrochloride Formula: C13H18Cl2N4O2 MolecularWeight: 333.21362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1C(=O)N)CC2=CC=CC(=C2)C(=N)N.Cl.Cl

Isomeric SMILES

C1CN(C(=O)[C@@H]1C(=O)N)CC2=CC=CC(=C2)C(=N)N.Cl.Cl

InChI

InChI=1S/C13H16N4O2.2ClH/c14-11(15)9-3-1-2-8(6-9)7-17-5-4-10(12(16)18)13(17)19;;/h1-3,6,10H,4-5,7H2,(H3,14,15)(H2,16,18);2*1H/t10-;;/m0../s1