[(4S)-4-(4-methylphenyl)-4-(2,3,6-trimethylphenoxy)butyl]azanium

Systemtic Name: [(4S)-4-(4-methylphenyl)-4-(2,3,6-trimethylphenoxy)butyl]azanium Openeye Name: [(4S)-4-(p-tolyl)-4-(2,3,6-trimethylphenoxy)butyl]ammonium CAS Name: [(4S)-4-(4-methylphenyl)-4-(2,3,6-trimethylphenoxy)butyl]ammonium IUPAC Name: [(4S)-4-(4-methylphenyl)-4-(2,3,6-trimethylphenoxy)butyl]azanium Traditional Name: [(4S)-4-(p-tolyl)-4-(2,3,6-trimethylphenoxy)butyl]ammonium Formula: C20H28NO+ MolecularWeight: 298.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCC[NH3+])OC2=C(C=CC(=C2C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CCC[NH3+])OC2=C(C=CC(=C2C)C)C

InChI

InChI=1S/C20H27NO/c1-14-7-11-18(12-8-14)19(6-5-13-21)22-20-16(3)10-9-15(2)17(20)4/h7-12,19H,5-6,13,21H2,1-4H3/p+1/t19-/m0/s1