2-(1-methylimidazol-2-yl)sulfanylethyl-[1-(3-pyrazol-1-ylphenyl)piperidin-4-yl]azanium

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanylethyl-[1-(3-pyrazol-1-ylphenyl)piperidin-4-yl]azanium Openeye Name: 2-(1-methylimidazol-2-yl)sulfanylethyl-[1-(3-pyrazol-1-ylphenyl)-4-piperidyl]ammonium CAS Name: 2-[(1-methyl-2-imidazolyl)thio]ethyl-[1-[3-(1-pyrazolyl)phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanylethyl-[1-(3-pyrazol-1-ylphenyl)piperidin-4-yl]azanium Traditional Name: 2-[(1-methylimidazol-2-yl)thio]ethyl-[1-(3-pyrazol-1-ylphenyl)-4-piperidyl]ammonium Formula: C20H27N6S+ MolecularWeight: 383.53358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC[NH2+]C2CCN(CC2)C3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CN1C=CN=C1SCC[NH2+]C2CCN(CC2)C3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C20H26N6S/c1-24-14-9-22-20(24)27-15-10-21-17-6-12-25(13-7-17)18-4-2-5-19(16-18)26-11-3-8-23-26/h2-5,8-9,11,14,16-17,21H,6-7,10,12-13,15H2,1H3/p+1