(5-chloranyl-2-oxidanyl-phenyl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)azanium

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)azanium Openeye Name: (5-chloro-2-hydroxy-phenyl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)ammonium CAS Name: (5-chloro-2-hydroxyphenyl)methyl-[2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: (5-chloro-2-hydroxyphenyl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)azanium Traditional Name: (5-chloro-2-hydroxy-benzyl)-(2-pyrrolidin-1-ium-1-ylethyl)ammonium Formula: C13H21ClN2O+2 MolecularWeight: 256.77164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH2+]CC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C1CC[NH+](C1)CC[NH2+]CC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C13H19ClN2O/c14-12-3-4-13(17)11(9-12)10-15-5-8-16-6-1-2-7-16/h3-4,9,15,17H,1-2,5-8,10H2/p+2