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

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-N-methyl-propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-N-methyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-cyclohexyl-N-methylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-N-methylpropanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-N-methyl-propionamide Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3OS/c1-16(22(26)24(2)18-8-4-3-5-9-18)25-14-12-17(13-15-25)21-23-19-10-6-7-11-20(19)27-21/h6-7,10-11,16-18H,3-5,8-9,12-15H2,1-2H3/p+1/t16-/m1/s1