[(4S)-4-[(5-chloranyl-2-oxidanyl-phenyl)methylazaniumyl]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(5-chloranyl-2-oxidanyl-phenyl)methylazaniumyl]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(5-chloro-2-hydroxy-phenyl)methylammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[(5-chloro-2-hydroxyphenyl)methylammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(5-chloro-2-hydroxyphenyl)methylazaniumyl]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(5-chloro-2-hydroxy-benzyl)ammonio]pentyl]-diethyl-ammonium Formula: C16H29ClN2O+2 MolecularWeight: 300.86726

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]CC1=C(C=CC(=C1)Cl)O

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC1=C(C=CC(=C1)Cl)O

InChI

InChI=1S/C16H27ClN2O/c1-4-19(5-2)10-6-7-13(3)18-12-14-11-15(17)8-9-16(14)20/h8-9,11,13,18,20H,4-7,10,12H2,1-3H3/p+2/t13-/m0/s1