N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1,3-benzothiazole-5-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1,3-benzothiazole-5-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1,3-benzothiazole-5-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-1,3-benzothiazole-5-carboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1,3-benzothiazole-5-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1,3-benzothiazole-5-carboxamide Formula: C22H24N3OS+ MolecularWeight: 378.51046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C4=CC5=C(C=C4)SC=N5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C4=CC5=C(C=C4)SC=N5

InChI

InChI=1S/C22H23N3OS/c26-22(17-7-8-21-20(12-17)23-14-27-21)24-18-6-3-9-25(13-18)19-10-15-4-1-2-5-16(15)11-19/h1-2,4-5,7-8,12,14,18-19H,3,6,9-11,13H2,(H,24,26)/p+1/t18-/m0/s1