[3-[(2-azanyl-4-chloranyl-phenyl)amino]-3-oxidanylidene-propyl]-diethyl-azanium

Systemtic Name: [3-[(2-azanyl-4-chloranyl-phenyl)amino]-3-oxidanylidene-propyl]-diethyl-azanium Openeye Name: [3-(2-amino-4-chloro-anilino)-3-oxo-propyl]-diethyl-ammonium CAS Name: [3-(2-amino-4-chloroanilino)-3-oxopropyl]-diethylammonium IUPAC Name: [3-(2-amino-4-chloroanilino)-3-oxopropyl]-diethylazanium Traditional Name: [3-(2-amino-4-chloro-anilino)-3-keto-propyl]-diethyl-ammonium Formula: C13H21ClN3O+ MolecularWeight: 270.77834

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC(=O)NC1=C(C=C(C=C1)Cl)N

Isomeric SMILES

CC[NH+](CC)CCC(=O)NC1=C(C=C(C=C1)Cl)N

InChI

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