2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-N-methyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-N-methyl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-N-methyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-cyclohexyl-N-methylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-N-methyl-acetamide Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(C1CCCCC1)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H29N3OS/c1-23(17-7-3-2-4-8-17)20(25)15-24-13-11-16(12-14-24)21-22-18-9-5-6-10-19(18)26-21/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3/p+1