N4-dodecyl-N4-ethyl-2-methyl-benzene-1,4-diamine sulfate

Systemtic Name: N4-dodecyl-N4-ethyl-2-methyl-benzene-1,4-diamine sulfate Openeye Name: N4-dodecyl-N4-ethyl-2-methyl-benzene-1,4-diamine sulfate CAS Name: N4-dodecyl-N4-ethyl-2-methylbenzene-1,4-diamine sulfate IUPAC Name: 4-N-dodecyl-4-N-ethyl-2-methylbenzene-1,4-diamine sulfate Traditional Name: (4-amino-3-methyl-phenyl)-ethyl-lauryl-amine sulfate Formula: C21H38N2O4S-2 MolecularWeight: 414.60242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CC)C1=CC(=C(C=C1)N)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCN(CC)C1=CC(=C(C=C1)N)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C21H38N2.H2O4S/c1-4-6-7-8-9-10-11-12-13-14-17-23(5-2)20-15-16-21(22)19(3)18-20;1-5(2,3)4/h15-16,18H,4-14,17,22H2,1-3H3;(H2,1,2,3,4)/p-2