N-[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]benzamide hydrate hydrochloride

Systemtic Name: N-[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]benzamide hydrate hydrochloride Openeye Name: N-(1-carbamoyl-4-guanidino-butyl)benzamide hydrate hydrochloride CAS Name: N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide hydrate hydrochloride IUPAC Name: N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide hydrate hydrochloride Traditional Name: N-(1-carbamoyl-4-guanidino-butyl)benzamide hydrate hydrochloride Formula: C13H22ClN5O3 MolecularWeight: 331.79848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N.O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N.O.Cl

InChI

InChI=1S/C13H19N5O2.ClH.H2O/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9;;/h1-3,5-6,10H,4,7-8H2,(H2,14,19)(H,18,20)(H4,15,16,17);1H;1H2