tert-butylazanium; (4S)-4-(3,4-dichlorophenyl)-4-phenyl-butanoate

Systemtic Name: tert-butylazanium; (4S)-4-(3,4-dichlorophenyl)-4-phenyl-butanoate Openeye Name: tert-butylammonium; (4S)-4-(3,4-dichlorophenyl)-4-phenyl-butanoate CAS Name: tert-butylammonium; (4S)-4-(3,4-dichlorophenyl)-4-phenylbutanoate IUPAC Name: tert-butylazanium; (4S)-4-(3,4-dichlorophenyl)-4-phenylbutanoate Traditional Name: tert-butylammonium; (4S)-4-(3,4-dichlorophenyl)-4-phenyl-butyrate Formula: C20H25Cl2NO2 MolecularWeight: 382.324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH3+].C1=CC=C(C=C1)C(CCC(=O)[O-])C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)[NH3+].C1=CC=C(C=C1)[C@H](CCC(=O)[O-])C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H14Cl2O2.C4H11N/c17-14-8-6-12(10-15(14)18)13(7-9-16(19)20)11-4-2-1-3-5-11;1-4(2,3)5/h1-6,8,10,13H,7,9H2,(H,19,20);5H2,1-3H3/t13-;/m0./s1