[1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: [1-[3-(pyridine-3-carbonylamino)phenyl]-4-piperidyl]-(2-thienylmethyl)ammonium CAS Name: [1-[3-[[oxo(3-pyridinyl)methyl]amino]phenyl]-4-piperidinyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [1-[3-(pyridine-3-carbonylamino)phenyl]piperidin-4-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: [1-(3-nicotinamidophenyl)-4-piperidyl]-(2-thenyl)ammonium Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC=CS2)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC=CS2)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H24N4OS/c27-22(17-4-2-10-23-15-17)25-19-5-1-6-20(14-19)26-11-8-18(9-12-26)24-16-21-7-3-13-28-21/h1-7,10,13-15,18,24H,8-9,11-12,16H2,(H,25,27)/p+1