2-(dimethylaminomethyl)-2-phenyl-butan-1-ol benzoate hydrochloride

Systemtic Name: 2-(dimethylaminomethyl)-2-phenyl-butan-1-ol benzoate hydrochloride Openeye Name: 2-(dimethylaminomethyl)-2-phenyl-butan-1-ol benzoate hydrochloride CAS Name: 2-(dimethylaminomethyl)-2-phenyl-1-butanol benzoate hydrochloride IUPAC Name: 2-(dimethylaminomethyl)-2-phenylbutan-1-ol benzoate hydrochloride Traditional Name: 2-(dimethylaminomethyl)-2-phenyl-butan-1-ol benzoate hydrochloride Formula: C20H27ClNO3- MolecularWeight: 364.88628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(C)C)(CO)C1=CC=CC=C1.C1=CC=C(C=C1)C(=O)[O-].Cl

Isomeric SMILES

CCC(CN(C)C)(CO)C1=CC=CC=C1.C1=CC=C(C=C1)C(=O)[O-].Cl

InChI

InChI=1S/C13H21NO.C7H6O2.ClH/c1-4-13(11-15,10-14(2)3)12-8-6-5-7-9-12;8-7(9)6-4-2-1-3-5-6;/h5-9,15H,4,10-11H2,1-3H3;1-5H,(H,8,9);1H/p-1