[(4S)-4-(2-methylphenoxy)-4-(4-propan-2-ylphenyl)butyl]azanium

Systemtic Name: [(4S)-4-(2-methylphenoxy)-4-(4-propan-2-ylphenyl)butyl]azanium Openeye Name: [(4S)-4-(4-isopropylphenyl)-4-(2-methylphenoxy)butyl]ammonium CAS Name: [(4S)-4-(2-methylphenoxy)-4-(4-propan-2-ylphenyl)butyl]ammonium IUPAC Name: [(4S)-4-(2-methylphenoxy)-4-(4-propan-2-ylphenyl)butyl]azanium Traditional Name: [(4S)-4-(2-methylphenoxy)-4-p-cumenyl-butyl]ammonium Formula: C20H28NO+ MolecularWeight: 298.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(CCC[NH3+])C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=CC=CC=C1O[C@@H](CCC[NH3+])C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C20H27NO/c1-15(2)17-10-12-18(13-11-17)20(9-6-14-21)22-19-8-5-4-7-16(19)3/h4-5,7-8,10-13,15,20H,6,9,14,21H2,1-3H3/p+1/t20-/m0/s1