methyl 2-benzamido-5-[bis(azanyl)methylideneamino]pentanoate chloride

Systemtic Name: methyl 2-benzamido-5-[bis(azanyl)methylideneamino]pentanoate chloride Openeye Name: methyl 2-benzamido-5-guanidino-pentanoate chloride CAS Name: 2-benzamido-5-(diaminomethylideneamino)pentanoic acid methyl ester chloride IUPAC Name: methyl 2-benzamido-5-(diaminomethylideneamino)pentanoate chloride Traditional Name: 2-benzamido-5-guanidino-valeric acid methyl ester chloride Formula: C14H20ClN4O3- MolecularWeight: 327.7866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

COC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C14H20N4O3.ClH/c1-21-13(20)11(8-5-9-17-14(15)16)18-12(19)10-6-3-2-4-7-10;/h2-4,6-7,11H,5,8-9H2,1H3,(H,18,19)(H4,15,16,17);1H/p-1