N1-butyl-2-chloranyl-benzene-1,4-diamine sulfate

Systemtic Name: N1-butyl-2-chloranyl-benzene-1,4-diamine sulfate Openeye Name: N1-butyl-2-chloro-benzene-1,4-diamine sulfate CAS Name: N1-butyl-2-chlorobenzene-1,4-diamine sulfate IUPAC Name: 1-N-butyl-2-chlorobenzene-1,4-diamine sulfate Traditional Name: (4-amino-2-chloro-phenyl)-butyl-amine sulfate Formula: C10H15ClN2O4S-2 MolecularWeight: 294.7551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)N)Cl.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)N)Cl.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C10H15ClN2.H2O4S/c1-2-3-6-13-10-5-4-8(12)7-9(10)11;1-5(2,3)4/h4-5,7,13H,2-3,6,12H2,1H3;(H2,1,2,3,4)/p-2