4-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-1-ium-4-yl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-benzylpiperidin-1-ium-4-yl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(1-benzylpiperidin-1-ium-4-yl)butyramide Formula: C23H28N3OS2+ MolecularWeight: 426.61792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCCSC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCCSC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS2/c27-22(11-6-16-28-23-25-20-9-4-5-10-21(20)29-23)24-19-12-14-26(15-13-19)17-18-7-2-1-3-8-18/h1-5,7-10,19H,6,11-17H2,(H,24,27)/p+1