3-[bis(azanyl)methylideneamino]propyl 4-phenylmethoxybenzoate hydrochloride

Systemtic Name: 3-[bis(azanyl)methylideneamino]propyl 4-phenylmethoxybenzoate hydrochloride Openeye Name: 3-guanidinopropyl 4-benzyloxybenzoate hydrochloride CAS Name: 4-phenylmethoxybenzoic acid 3-(diaminomethylideneamino)propyl ester hydrochloride IUPAC Name: 3-(diaminomethylideneamino)propyl 4-phenylmethoxybenzoate hydrochloride Traditional Name: 4-benzoxybenzoic acid 3-guanidinopropyl ester hydrochloride Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)OCCCN=C(N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)OCCCN=C(N)N.Cl

InChI

InChI=1S/C18H21N3O3.ClH/c19-18(20)21-11-4-12-23-17(22)15-7-9-16(10-8-15)24-13-14-5-2-1-3-6-14;/h1-3,5-10H,4,11-13H2,(H4,19,20,21);1H