bis(azanyl)methylidene-[3-(3-chloranyl-4-propoxy-phenyl)propyl]azanium

Systemtic Name: bis(azanyl)methylidene-[3-(3-chloranyl-4-propoxy-phenyl)propyl]azanium Openeye Name: 3-(3-chloro-4-propoxy-phenyl)propyl-(diaminomethylene)ammonium CAS Name: 3-(3-chloro-4-propoxyphenyl)propyl-(diaminomethylidene)ammonium IUPAC Name: 3-(3-chloro-4-propoxyphenyl)propyl-(diaminomethylidene)azanium Traditional Name: 3-(3-chloro-4-propoxy-phenyl)propyl-(diaminomethylene)ammonium Formula: C13H21ClN3O+ MolecularWeight: 270.77834

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CCC[NH+]=C(N)N)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CCC[NH+]=C(N)N)Cl

InChI

InChI=1S/C13H20ClN3O/c1-2-8-18-12-6-5-10(9-11(12)14)4-3-7-17-13(15)16/h5-6,9H,2-4,7-8H2,1H3,(H4,15,16,17)/p+1