3-[3-[3,5-bis(azanyl)-5-oxidanylidene-pentoxy]phenyl]carbonylpyridine-2-carboxylate hydrochloride

Systemtic Name: 3-[3-[3,5-bis(azanyl)-5-oxidanylidene-pentoxy]phenyl]carbonylpyridine-2-carboxylate hydrochloride Openeye Name: 3-[3-(3,5-diamino-5-oxo-pentoxy)benzoyl]pyridine-2-carboxylate hydrochloride CAS Name: 3-[[3-(3,5-diamino-5-oxopentoxy)phenyl]-oxomethyl]-2-pyridinecarboxylate hydrochloride IUPAC Name: 3-[3-(3,5-diamino-5-oxopentoxy)benzoyl]pyridine-2-carboxylate hydrochloride Traditional Name: 3-[3-(3,5-diamino-5-keto-pentoxy)benzoyl]picolinate hydrochloride Formula: C18H19ClN3O5- MolecularWeight: 392.81356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCC(CC(=O)N)N)C(=O)C2=C(N=CC=C2)C(=O)[O-].Cl

Isomeric SMILES

C1=CC(=CC(=C1)OCCC(CC(=O)N)N)C(=O)C2=C(N=CC=C2)C(=O)[O-].Cl

InChI

InChI=1S/C18H19N3O5.ClH/c19-12(10-15(20)22)6-8-26-13-4-1-3-11(9-13)17(23)14-5-2-7-21-16(14)18(24)25;/h1-5,7,9,12H,6,8,10,19H2,(H2,20,22)(H,24,25);1H/p-1