4-[4-chloranyl-2-(phenylmethyl)phenoxy]butyl-[(2R)-2-oxidanylpropyl]azanium

Systemtic Name: 4-[4-chloranyl-2-(phenylmethyl)phenoxy]butyl-[(2R)-2-oxidanylpropyl]azanium Openeye Name: 4-(2-benzyl-4-chloro-phenoxy)butyl-[(2R)-2-hydroxypropyl]ammonium CAS Name: 4-[4-chloro-2-(phenylmethyl)phenoxy]butyl-[(2R)-2-hydroxypropyl]ammonium IUPAC Name: 4-(2-benzyl-4-chlorophenoxy)butyl-[(2R)-2-hydroxypropyl]azanium Traditional Name: 4-(2-benzyl-4-chloro-phenoxy)butyl-[(2R)-2-hydroxypropyl]ammonium Formula: C20H27ClNO2+ MolecularWeight: 348.88688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CCCCOC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2)O

Isomeric SMILES

C[C@H](C[NH2+]CCCCOC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2)O

InChI

InChI=1S/C20H26ClNO2/c1-16(23)15-22-11-5-6-12-24-20-10-9-19(21)14-18(20)13-17-7-3-2-4-8-17/h2-4,7-10,14,16,22-23H,5-6,11-13,15H2,1H3/p+1/t16-/m1/s1