2-[(3S)-1-[(6-nitroindazol-1-yl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3S)-1-[(6-nitroindazol-1-yl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-[(6-nitroindazol-1-yl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-[(6-nitro-1-indazolyl)methyl]-3-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-[(6-nitroindazol-1-yl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-[(6-nitroindazol-1-yl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Formula: C20H20N5O2S+ MolecularWeight: 394.4701

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H19N5O2S/c26-25(27)16-8-7-14-11-21-24(18(14)10-16)13-23-9-3-4-15(12-23)20-22-17-5-1-2-6-19(17)28-20/h1-2,5-8,10-11,15H,3-4,9,12-13H2/p+1/t15-/m0/s1