[(4S)-4-(2,3-dimethylphenoxy)-4-(4-propan-2-ylphenyl)butyl]azanium

Systemtic Name: [(4S)-4-(2,3-dimethylphenoxy)-4-(4-propan-2-ylphenyl)butyl]azanium Openeye Name: [(4S)-4-(2,3-dimethylphenoxy)-4-(4-isopropylphenyl)butyl]ammonium CAS Name: [(4S)-4-(2,3-dimethylphenoxy)-4-(4-propan-2-ylphenyl)butyl]ammonium IUPAC Name: [(4S)-4-(2,3-dimethylphenoxy)-4-(4-propan-2-ylphenyl)butyl]azanium Traditional Name: [(4S)-4-(2,3-dimethylphenoxy)-4-p-cumenyl-butyl]ammonium Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(CCC[NH3+])C2=CC=C(C=C2)C(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)O[C@@H](CCC[NH3+])C2=CC=C(C=C2)C(C)C)C

InChI

InChI=1S/C21H29NO/c1-15(2)18-10-12-19(13-11-18)21(9-6-14-22)23-20-8-5-7-16(3)17(20)4/h5,7-8,10-13,15,21H,6,9,14,22H2,1-4H3/p+1/t21-/m0/s1