6-[[4-(diethylamino)phenyl]methylazaniumyl]hexanoate

Systemtic Name: 6-[[4-(diethylamino)phenyl]methylazaniumyl]hexanoate Openeye Name: 6-[[4-(diethylamino)phenyl]methylammonio]hexanoate CAS Name: 6-[[4-(diethylamino)phenyl]methylammonio]hexanoate IUPAC Name: 6-[[4-(diethylamino)phenyl]methylazaniumyl]hexanoate Traditional Name: 6-[[4-(diethylamino)benzyl]ammonio]hexanoate Formula: C17H28N2O2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C[NH2+]CCCCCC(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C[NH2+]CCCCCC(=O)[O-]

InChI

InChI=1S/C17H28N2O2/c1-3-19(4-2)16-11-9-15(10-12-16)14-18-13-7-5-6-8-17(20)21/h9-12,18H,3-8,13-14H2,1-2H3,(H,20,21)