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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4OS/c28-23(18-6-11-24-12-7-18)26-20-3-1-4-21(17-20)27-14-9-19(10-15-27)25-13-8-22-5-2-16-29-22/h1-7,11-12,16-17,19,25H,8-10,13-15H2,(H,26,28)/p+1