[2-[(5-azanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(2-pyridin-4-ylethyl)azanium

Systemtic Name: [2-[(5-azanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(2-pyridin-4-ylethyl)azanium Openeye Name: [2-(5-amino-2-chloro-anilino)-2-oxo-ethyl]-ethyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: [2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: [2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethyl-(2-pyridin-4-ylethyl)azanium Traditional Name: [2-(5-amino-2-chloro-anilino)-2-keto-ethyl]-ethyl-[2-(4-pyridyl)ethyl]ammonium Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC1=CC=NC=C1)CC(=O)NC2=C(C=CC(=C2)N)Cl

Isomeric SMILES

CC[NH+](CCC1=CC=NC=C1)CC(=O)NC2=C(C=CC(=C2)N)Cl

InChI

InChI=1S/C17H21ClN4O/c1-2-22(10-7-13-5-8-20-9-6-13)12-17(23)21-16-11-14(19)3-4-15(16)18/h3-6,8-9,11H,2,7,10,12,19H2,1H3,(H,21,23)/p+1