ethanamine; 1-heptoxy-4-(2-methylphenyl)benzene; dihydrochloride

Systemtic Name: ethanamine; 1-heptoxy-4-(2-methylphenyl)benzene; dihydrochloride Openeye Name: ethanamine; 1-heptoxy-4-(o-tolyl)benzene; dihydrochloride CAS Name: ethanamine; 1-heptoxy-4-(2-methylphenyl)benzene; dihydrochloride IUPAC Name: ethanamine; 1-heptoxy-4-(2-methylphenyl)benzene; dihydrochloride Traditional Name: ethylamine; 1-heptoxy-4-(o-tolyl)benzene; dihydrochloride Formula: C22H35Cl2NO MolecularWeight: 400.4254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2C.CCN.Cl.Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2C.CCN.Cl.Cl

InChI

InChI=1S/C20H26O.C2H7N.2ClH/c1-3-4-5-6-9-16-21-19-14-12-18(13-15-19)20-11-8-7-10-17(20)2;1-2-3;;/h7-8,10-15H,3-6,9,16H2,1-2H3;2-3H2,1H3;2*1H