(5-chloranylthiophen-2-yl)methyl-[1-[3-(pyridin-4-ylcarbonylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[1-[3-(pyridin-4-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-[1-[3-(pyridine-4-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[1-[3-[[oxo(pyridin-4-yl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[1-[3-(pyridine-4-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[1-(3-isonicotinamidophenyl)-4-piperidyl]ammonium Formula: C22H24ClN4OS+ MolecularWeight: 427.97016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC=C(S2)Cl)C3=CC(=CC=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC=C(S2)Cl)C3=CC(=CC=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H23ClN4OS/c23-21-5-4-20(29-21)15-25-17-8-12-27(13-9-17)19-3-1-2-18(14-19)26-22(28)16-6-10-24-11-7-16/h1-7,10-11,14,17,25H,8-9,12-13,15H2,(H,26,28)/p+1