1-(1,3-benzothiazol-2-yl)-1-cycloheptyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-cycloheptyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-cycloheptyl-piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-cycloheptyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-cycloheptylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-cycloheptyl-piperidin-1-ium-4-carboxamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[N+]2(CCC(CC2)C(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCC(CC1)[N+]2(CCC(CC2)C(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H27N3OS/c21-19(24)15-11-13-23(14-12-15,16-7-3-1-2-4-8-16)20-22-17-9-5-6-10-18(17)25-20/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H-,21,24)/p+1