2-(4-phenyl-1,3-thiazol-2-yl)ethyl-[1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2-(4-phenyl-1,3-thiazol-2-yl)ethyl-[1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 2-(4-phenylthiazol-2-yl)ethyl-[1-[3-(pyridine-3-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: [1-[3-[[oxo(3-pyridinyl)methyl]amino]phenyl]-4-piperidinyl]-[2-(4-phenyl-2-thiazolyl)ethyl]ammonium IUPAC Name: 2-(4-phenyl-1,3-thiazol-2-yl)ethyl-[1-[3-(pyridine-3-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-(3-nicotinamidophenyl)-4-piperidyl]-[2-(4-phenylthiazol-2-yl)ethyl]ammonium Formula: C28H30N5OS+ MolecularWeight: 484.6357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCC2=NC(=CS2)C3=CC=CC=C3)C4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]CCC2=NC(=CS2)C3=CC=CC=C3)C4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H29N5OS/c34-28(22-8-5-14-29-19-22)31-24-9-4-10-25(18-24)33-16-12-23(13-17-33)30-15-11-27-32-26(20-35-27)21-6-2-1-3-7-21/h1-10,14,18-20,23,30H,11-13,15-17H2,(H,31,34)/p+1