phosphoric acid; S-(3-piperidin-1-ylpropyl) 4-azanylbenzenecarbothioate

Systemtic Name: phosphoric acid; S-(3-piperidin-1-ylpropyl) 4-azanylbenzenecarbothioate Openeye Name: phosphoric acid; S-[3-(1-piperidyl)propyl] 4-aminobenzenecarbothioate CAS Name: 4-aminobenzenecarbothioic acid S-[3-(1-piperidinyl)propyl] ester; phosphoric acid IUPAC Name: phosphoric acid; S-(3-piperidin-1-ylpropyl) 4-aminobenzenecarbothioate Traditional Name: 4-aminothiobenzoic acid S-(3-piperidinopropyl) ester; phosphoric acid Formula: C15H25N2O5PS MolecularWeight: 376.408161

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCSC(=O)C2=CC=C(C=C2)N.OP(=O)(O)O

Isomeric SMILES

C1CCN(CC1)CCCSC(=O)C2=CC=C(C=C2)N.OP(=O)(O)O

InChI

InChI=1S/C15H22N2OS.H3O4P/c16-14-7-5-13(6-8-14)15(18)19-12-4-11-17-9-2-1-3-10-17;1-5(2,3)4/h5-8H,1-4,9-12,16H2;(H3,1,2,3,4)