O-[2-[(2S)-2-methylpiperidin-1-yl]ethyl] 4-azanylbenzenecarbothioate; phosphoric acid

Systemtic Name: O-[2-[(2S)-2-methylpiperidin-1-yl]ethyl] 4-azanylbenzenecarbothioate; phosphoric acid Openeye Name: O-[2-[(2S)-2-methyl-1-piperidyl]ethyl] 4-aminobenzenecarbothioate; phosphoric acid CAS Name: 4-aminobenzenecarbothioic acid O-[2-[(2S)-2-methyl-1-piperidinyl]ethyl] ester; phosphoric acid IUPAC Name: O-[2-[(2S)-2-methylpiperidin-1-yl]ethyl] 4-aminobenzenecarbothioate; phosphoric acid Traditional Name: 4-aminothiobenzoic acid O-[2-[(2S)-2-methylpiperidino]ethyl] ester; phosphoric acid Formula: C15H25N2O5PS MolecularWeight: 376.408161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCOC(=S)C2=CC=C(C=C2)N.OP(=O)(O)O

Isomeric SMILES

C[C@H]1CCCCN1CCOC(=S)C2=CC=C(C=C2)N.OP(=O)(O)O

InChI

InChI=1S/C15H22N2OS.H3O4P/c1-12-4-2-3-9-17(12)10-11-18-15(19)13-5-7-14(16)8-6-13;1-5(2,3)4/h5-8,12H,2-4,9-11,16H2,1H3;(H3,1,2,3,4)/t12-;/m0./s1