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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C24H30N3OS+ MolecularWeight: 408.5795

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H29N3OS/c1-18(11-12-19-7-3-2-4-8-19)25-23(28)17-27-15-13-20(14-16-27)24-26-21-9-5-6-10-22(21)29-24/h2-10,18,20H,11-17H2,1H3,(H,25,28)/p+1/t18-/m1/s1