phosphoric acid; S-(3-piperidin-1-ylpropyl) 4-azanyl-2-methoxy-benzenecarbothioate

Systemtic Name: phosphoric acid; S-(3-piperidin-1-ylpropyl) 4-azanyl-2-methoxy-benzenecarbothioate Openeye Name: phosphoric acid; S-[3-(1-piperidyl)propyl] 4-amino-2-methoxy-benzenecarbothioate CAS Name: 4-amino-2-methoxybenzenecarbothioic acid S-[3-(1-piperidinyl)propyl] ester; phosphoric acid IUPAC Name: phosphoric acid; S-(3-piperidin-1-ylpropyl) 4-amino-2-methoxybenzenecarbothioate Traditional Name: 4-amino-2-methoxy-thiobenzoic acid S-(3-piperidinopropyl) ester; phosphoric acid Formula: C16H27N2O6PS MolecularWeight: 406.434141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N)C(=O)SCCCN2CCCCC2.OP(=O)(O)O

Isomeric SMILES

COC1=C(C=CC(=C1)N)C(=O)SCCCN2CCCCC2.OP(=O)(O)O

InChI

InChI=1S/C16H24N2O2S.H3O4P/c1-20-15-12-13(17)6-7-14(15)16(19)21-11-5-10-18-8-3-2-4-9-18;1-5(2,3)4/h6-7,12H,2-5,8-11,17H2,1H3;(H3,1,2,3,4)