[2-[(3-azanyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(2-hydroxyethyl)azanium

Systemtic Name: [2-[(3-azanyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(2-hydroxyethyl)azanium Openeye Name: [2-(3-amino-4-chloro-anilino)-2-oxo-ethyl]-ethyl-(2-hydroxyethyl)ammonium CAS Name: [2-(3-amino-4-chloroanilino)-2-oxoethyl]-ethyl-(2-hydroxyethyl)ammonium IUPAC Name: [2-(3-amino-4-chloroanilino)-2-oxoethyl]-ethyl-(2-hydroxyethyl)azanium Traditional Name: [2-(3-amino-4-chloro-anilino)-2-keto-ethyl]-ethyl-(2-hydroxyethyl)ammonium Formula: C12H19ClN3O2+ MolecularWeight: 272.75116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClN3O2/c1-2-16(5-6-17)8-12(18)15-9-3-4-10(13)11(14)7-9/h3-4,7,17H,2,5-6,8,14H2,1H3,(H,15,18)/p+1