3-(4-chloranyl-3-ethyl-phenoxy)propyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: 3-(4-chloranyl-3-ethyl-phenoxy)propyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: 3-(4-chloro-3-ethyl-phenoxy)propyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: 3-(4-chloro-3-ethylphenoxy)propyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: 3-(4-chloro-3-ethylphenoxy)propyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: 3-(4-chloro-3-ethyl-phenoxy)propyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C17H29ClN2O2+2 MolecularWeight: 328.87736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCC[NH2+]CC[NH+]2CCOCC2)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCC[NH2+]CC[NH+]2CCOCC2)Cl

InChI

InChI=1S/C17H27ClN2O2/c1-2-15-14-16(4-5-17(15)18)22-11-3-6-19-7-8-20-9-12-21-13-10-20/h4-5,14,19H,2-3,6-13H2,1H3/p+2