[(4S)-4-(2-chloranylphenoxy)-4-(2,5-dimethylphenyl)butyl]azanium

Systemtic Name: [(4S)-4-(2-chloranylphenoxy)-4-(2,5-dimethylphenyl)butyl]azanium Openeye Name: [(4S)-4-(2-chlorophenoxy)-4-(2,5-dimethylphenyl)butyl]ammonium CAS Name: [(4S)-4-(2-chlorophenoxy)-4-(2,5-dimethylphenyl)butyl]ammonium IUPAC Name: [(4S)-4-(2-chlorophenoxy)-4-(2,5-dimethylphenyl)butyl]azanium Traditional Name: [(4S)-4-(2-chlorophenoxy)-4-(2,5-dimethylphenyl)butyl]ammonium Formula: C18H23ClNO+ MolecularWeight: 304.83432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CCC[NH3+])OC2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H](CCC[NH3+])OC2=CC=CC=C2Cl

InChI

InChI=1S/C18H22ClNO/c1-13-9-10-14(2)15(12-13)17(8-5-11-20)21-18-7-4-3-6-16(18)19/h3-4,6-7,9-10,12,17H,5,8,11,20H2,1-2H3/p+1/t17-/m0/s1