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

Systemtic Name: [2-[(4-azanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: [2-(4-amino-2-chloro-anilino)-2-oxo-ethyl]-benzyl-ethyl-ammonium CAS Name: [2-(4-amino-2-chloroanilino)-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [2-(4-amino-2-chloroanilino)-2-oxoethyl]-benzyl-ethylazanium Traditional Name: [2-(4-amino-2-chloro-anilino)-2-keto-ethyl]-benzyl-ethyl-ammonium Formula: C17H21ClN3O+ MolecularWeight: 318.82114

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=C(C=C2)N)Cl

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C17H20ClN3O/c1-2-21(11-13-6-4-3-5-7-13)12-17(22)20-16-9-8-14(19)10-15(16)18/h3-10H,2,11-12,19H2,1H3,(H,20,22)/p+1