[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-(3-pyrazol-1-ylbenzyl)ammonium Formula: C22H24N5S+ MolecularWeight: 390.52446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)[NH2+]CC4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC3=CC=CC=C3S2)[NH2+]CC4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C22H23N5S/c1-2-10-21-20(9-1)25-22(28-21)26-12-4-7-18(16-26)23-15-17-6-3-8-19(14-17)27-13-5-11-24-27/h1-3,5-6,8-11,13-14,18,23H,4,7,12,15-16H2/p+1/t18-/m0/s1