[(4S)-4-(4-ethylphenyl)-4-(2,4,5-trimethylphenoxy)butyl]azanium

Systemtic Name: [(4S)-4-(4-ethylphenyl)-4-(2,4,5-trimethylphenoxy)butyl]azanium Openeye Name: [(4S)-4-(4-ethylphenyl)-4-(2,4,5-trimethylphenoxy)butyl]ammonium CAS Name: [(4S)-4-(4-ethylphenyl)-4-(2,4,5-trimethylphenoxy)butyl]ammonium IUPAC Name: [(4S)-4-(4-ethylphenyl)-4-(2,4,5-trimethylphenoxy)butyl]azanium Traditional Name: [(4S)-4-(4-ethylphenyl)-4-(2,4,5-trimethylphenoxy)butyl]ammonium Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CCC[NH3+])OC2=C(C=C(C(=C2)C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CCC[NH3+])OC2=C(C=C(C(=C2)C)C)C

InChI

InChI=1S/C21H29NO/c1-5-18-8-10-19(11-9-18)20(7-6-12-22)23-21-14-16(3)15(2)13-17(21)4/h8-11,13-14,20H,5-7,12,22H2,1-4H3/p+1/t20-/m0/s1