N4-(6-chloranyl-2,1-benzothiazol-3-yl)-N1,N1-diethyl-pentane-1,4-diamine; phosphoric acid

Systemtic Name: N4-(6-chloranyl-2,1-benzothiazol-3-yl)-N1,N1-diethyl-pentane-1,4-diamine; phosphoric acid Openeye Name: N4-(6-chloro-2,1-benzothiazol-3-yl)-N1,N1-diethyl-pentane-1,4-diamine; phosphoric acid CAS Name: N4-(6-chloro-2,1-benzothiazol-3-yl)-N1,N1-diethylpentane-1,4-diamine; phosphoric acid IUPAC Name: 4-N-(6-chloro-2,1-benzothiazol-3-yl)-1-N,1-N-diethylpentane-1,4-diamine; phosphoric acid Traditional Name: 4-[(6-chloro-2,1-benzothiazol-3-yl)amino]pentyl-diethyl-amine; phosphoric acid Formula: C16H30ClN3O8P2S MolecularWeight: 521.890222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NS1)Cl.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NS1)Cl.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C16H24ClN3S.2H3O4P/c1-4-20(5-2)10-6-7-12(3)18-16-14-9-8-13(17)11-15(14)19-21-16;2*1-5(2,3)4/h8-9,11-12,18H,4-7,10H2,1-3H3;2*(H3,1,2,3,4)