1-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-1-ium-4-carboxamide Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1C(=O)N)(C2=CC3=C(C=C2)OCCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[N+](CCC1C(=O)N)(C2=CC3=C(C=C2)OCCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H21N3O3S/c22-20(25)14-7-9-24(10-8-14,21-23-16-3-1-2-4-19(16)28-21)15-5-6-17-18(13-15)27-12-11-26-17/h1-6,13-14H,7-12H2,(H-,22,25)/p+1