propanoate; 1-[[2-(4-propylphenyl)phenyl]methoxy]piperidine; hydrochloride

Systemtic Name: propanoate; 1-[[2-(4-propylphenyl)phenyl]methoxy]piperidine; hydrochloride Openeye Name: propanoate; 1-[[2-(4-propylphenyl)phenyl]methoxy]piperidine; hydrochloride CAS Name: propanoate; 1-[[2-(4-propylphenyl)phenyl]methoxy]piperidine; hydrochloride IUPAC Name: propanoate; 1-[[2-(4-propylphenyl)phenyl]methoxy]piperidine; hydrochloride Traditional Name: propionate; 1-[2-(4-propylphenyl)benzyl]oxypiperidine; hydrochloride Formula: C24H33ClNO3- MolecularWeight: 418.97672

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=CC=C2CON3CCCCC3.CCC(=O)[O-].Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=CC=C2CON3CCCCC3.CCC(=O)[O-].Cl

InChI

InChI=1S/C21H27NO.C3H6O2.ClH/c1-2-8-18-11-13-19(14-12-18)21-10-5-4-9-20(21)17-23-22-15-6-3-7-16-22;1-2-3(4)5;/h4-5,9-14H,2-3,6-8,15-17H2,1H3;2H2,1H3,(H,4,5);1H/p-1