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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[1-[3-(pyridine-3-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[1-[3-[[oxo(3-pyridinyl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[1-[3-(pyridine-3-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[1-(3-nicotinamidophenyl)-4-piperidyl]ammonium Formula: C25H26N5OS+ MolecularWeight: 444.57184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C25H25N5OS/c31-25(18-5-4-12-26-16-18)28-20-6-3-7-21(15-20)30-13-10-19(11-14-30)27-17-24-29-22-8-1-2-9-23(22)32-24/h1-9,12,15-16,19,27H,10-11,13-14,17H2,(H,28,31)/p+1