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

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-benzyl-N-methyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-benzyl-N-methylpropanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-benzyl-N-methyl-propionamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3OS/c1-17(23(27)25(2)16-18-8-4-3-5-9-18)26-14-12-19(13-15-26)22-24-20-10-6-7-11-21(20)28-22/h3-11,17,19H,12-16H2,1-2H3/p+1/t17-/m1/s1