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

Systemtic Name: [1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [1-[3-(pyridine-3-carbonylamino)phenyl]-4-piperidyl]-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [1-[3-[[oxo(3-pyridinyl)methyl]amino]phenyl]-4-piperidinyl]-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [1-[3-(pyridine-3-carbonylamino)phenyl]piperidin-4-yl]-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [1-(3-nicotinamidophenyl)-4-piperidyl]-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-17(22-8-4-14-29-22)25-19-9-12-27(13-10-19)21-7-2-6-20(15-21)26-23(28)18-5-3-11-24-16-18/h2-8,11,14-17,19,25H,9-10,12-13H2,1H3,(H,26,28)/p+1/t17-/m0/s1